Compound - Results

Cyclandelate

Java required.


Information Structure
Name Cyclandelate
Synonyms
3,3,5-Trimethylcyclohexanol Alpha-phenyl-alpha-hydroxyacetate
3,3,5-Trimethylcyclohexyl Mandelate
3,5,5-Trimethylcyclohexanol, Mandelic Acid Ester
3,5,5-Trimethylcyclohexyl Amygdalate
3,5,5-Trimethylcyclohexyl Mandelate
alpha-Hydroxybenzeneacetic Acid 3,3,5-trimethylcyclohexyl Ester
Arto-espasmol
Benzeneacetic Acid, Alpha-hydroxy-, 3,3,5-trimethylcyclohexyl Ester
BS 572
Capilan
Ciclandelato
Ciclospasmol
Clandilon
Cyclandelat
Cyclandelate
Cyclandelatum
Cyclolyt
Cyclomandol
Cyclospasmol
Dilatan
EINECS 207-271-6
HSDB 3046
Mandelic Acid, 3,3,5-trimethylcyclohexyl Ester
Perebral
Saiclate
Sancyclan
Sepyron
Spasmione
Spasmocyclon
Spasmocyclone
ATC C04AX01
N06DX14
CID 2893
CAS 000456597
Drugbank ID DB04838
SMILES C[C@@H]1C[C@H](CC(C)(C)C1)OC(=O)[C@H](O)C2=CC=CC=C2
Formula C17H24O3
Molweight 276.371
Atoms 20
LogP 3.478
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
Phenoxybenzamine

Java required.


Information Structure
Name Phenoxybenzamine
Synonyms
2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane
4-12-00-02204 (Beilstein Handbook Reference)
688A
A 688
Bensylyt
Benzyl(2-chloroethyl)-(1-methyl-2-phenoxyethyl)amine
Benzylyt
BRN 2129697
CCRIS 505
Dibenylin
Dibenyline
Dibenzyline
EINECS 200-446-8
Fenossibenzamina
Fenoxibenzamina
HSDB 4005
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine
N-Phenoxyisopropyl-N-benzyl-beta-chloroethylamine
NSC 37448
Phenoxybenzamine
Phenoxybenzaminum
ATC C04AX02
G04BD08
CID 216457
CAS 000059961
Drugbank ID DB00925
TTD Drug ID DAP001129
SMILES C[C@H](COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
Formula C27H32N2O6
Molweight 480.553
Atoms 37
LogP 3.6765
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 7
CYP interactions
NameRelationsReferences
3A4Substrate umm
Vincamine

Java required.


Information Structure
Name Vincamine
Synonyms
(+)-Vincamine
14,15-Dihydro-14-hydroxyeburnamenine-14-carboxylic Acid Methyl Ester
Anasclerol
Anasclerol (base)
Angiopac
Arteriovinca
Decincan
Devincan
Devinkan
Eburnamenine-14-carboxylic Acid, 14,15-dihydro-14-hydroxy-, Methyl Ester, (3alpha,14beta,16.)
EINECS 216-576-3
Equipur
Methyl Vincaminate
Minorin
Minorine
Monorin
Novicet
NSC 91998
Ocu-vinc
Oxygeron
Perval
Pervincamine
Pervone
Tripervan
Vinca
Vinca-Ecobi
Vinca-Minor
Vincachron
Vincadar
Vincafolina
Vincafor
Vincagil
Vincamidol
Vincamin
Vincamina
Vincamine
Vincaminum
Vincapan
Vincapront
Vincasaunier
Vincimax
Vinkametrin
Vinodrel Retard
ATC C04AX07
N06DX09
S01XA17
CID 15376
CAS 001617909
SMILES CC[C@@]12CCCN3CCC4=C([C@H]13)N(C5=C4C=CC=C5)[C@](O)(C2)C(=O)OC
Formula C21H26N2O3
Molweight 354.443
Atoms 27
LogP 2.8904
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Substrate 16176333
2D6Substrate 16176333
2E1Substrate 16176333
3A4Substrate 16176333
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Extrarenal fraction 0.95
Elimination half-life 2h
Moxisylyte

Java required.


Information Structure
Name Moxisylyte
Synonyms
4-(2-(Dimethylamino)ethoxy)-2-methyl-5-(1-methylethyl)phenol Acetate (ester)
Arlytene
Carvacrol, 5-(2-(dimethylamino)ethoxy)-, Acetate (ester)
EINECS 200-204-1
Moxilite
Moxisilita
Moxisylyt
Moxisylyte
Moxisylytum
Sympal
Thymoxamine
Timoxamina
Vasoklin
ATC C04AX10
G04BE06
CID 4260
CAS 000054320
SMILES CC(C)C1=C(OCCN(C)C)C=C(C)C(OC(C)=O)=C1
Formula C16H25NO3
Molweight 279.375
Atoms 20
LogP 2.9841
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Bencyclane

Java required.


Information Structure
Name Bencyclane
Synonyms
Benciclano
Bencyclan
Bencyclane
Bencyclanum
EINECS 218-547-0
ATC C04AX11
N06DX11
CID 2312
CAS 002179375
SMILES CN(C)CCCO[C@@]1(CCCCCC1)CC2=CC=CC=C2
Formula C19H31NO
Molweight 289.456
Atoms 21
LogP 4.2904
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 2
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Extrarenal fraction 0.95
Elimination half-life 18h
Piribedil

Java required.


Information Structure
Name Piribedil
Synonyms
1-(2-Pyrimidyl)-4-piperonylpiperazine
1-(3,4-Methylenedioxybenzyl)-4-(2-pyrimidyl)piperazine
2-(4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)pyrimidine
2-(4-(3,4-Methylenedioxybenzyl)piperazino)pyrimidine
2-(4-benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-pyrimidine
2-(4-piperonyl-1-piperazinyl)-pyrimidine
2-(4-Piperonyl-1-piperazinyl)pyrimidine
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
2-[4-(3,4-methylenedioxybenzyl)piperazino]pyrimidine
3605-01-4
52293-23-9 (mesylate)
78213-63-5 (mono-hydrochloride)
82760-77-8
ab00514645
ab1006701
ac-1051
ac1l1j3h
ac1q6zye
akos001309525
ar-1d6865
bas 00638885
biomol-nt_000044
bpbio1_001121
bpbio1_001269
brd-k47936004-001-01-9
brd-k47936004-003-03-1
BRN 0963637
bspbio_001019
c16h18n4o2
cas-78213-63-5
cid4850
d07305
EINECS 222-764-6
ET 495
et-495
EU 4200
eu-4200
hms2089m17
jsp000012
l000476
lopac-p-9233
lopac0_000965
ls-135515
molport-001-900-168
ncgc00015857-01
ncgc00015857-02
ncgc00015857-05
ncgc00015857-06
ncgc00024951-01
ncgc00024951-02
ncgc00024951-03
oprea1_061309
oprea1_215383
Piribedil
piribedil (inn)
piribedil Maleate
piribedil [inn:dcf]
Piribedile
piribedile [dcit]
Piribedilum
piribedilum [inn-latin]
piribendyl
prestwick0_000980
prestwick1_000980
prestwick2_000980
prestwick3_000980
pyrimidine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-
pyrimidine, 2-(4-piperonyl-1-piperazinyl)-
pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-
spbio_002930
t5711176
tocris-1031
Trivastal
trivastal (tn)
Trivastan
unii-do22k1prdj
zinc19537374
ATC C04AX13
N04BC08
CID 4850
CAS 003605014
SMILES C1OC2=C(O1)C=C(CN3CCN(CC3)C4=NC=CC=N4)C=C2
Formula C16H18N4O2
Molweight 298.34
Atoms 22
LogP 1.5304
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Vinburnine

Java required.


Information Structure
Name Vinburnine
Synonyms
(-)-Eburnamonina
(-)-Eburnamonine
(3-alpha,16-alpha)-Eburnamin-14(15H)-one
3-alpha,16-alpha-Eburnamonine
CH-846
cis-Vincamone
Eburnal
Eburnal Ritardo
Eburnamonine (-)-form
EINECS 225-490-5
l-Eburnamonine
Vinburnina
Vinburnine
Vinburninum
Vincamona
ATC C04AX17
CID 71203
CAS 004880880
SMILES CC[C@@]12CCCN3CCC4=C([C@H]13)N(C(=O)C2)C5=C4C=CC=C5
Formula C19H22N2O
Molweight 294.391
Atoms 22
LogP 3.7125
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 2
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Suloctidil

Java required.


Information Structure
Name Suloctidil
Synonyms
(+-)-Suloctidil
(R*,S*)-4-((1-Methylethyl)thio)-alpha-(1-(octylamino)ethyl)benzenemethanol
CP 556S
EINECS 259-332-1
erythro-1-(4-Isopropylthiophenyl)-2-n-octylaminopropanol
erythro-p-(Isopropylthio)-alpha-(1-(octylamino)ethyl)benzyl Alcohol
Suloctidil
Suloctidilum
Suloctidyl
Sulocton
ATC C04AX19
CID 657255
CAS 054767758
SMILES CCCCCCCCN[C@H](C)[C@@H](O)C1=CC=C(SC(C)C)C=C1
Formula C20H35NOS
Molweight 337.563
Atoms 23
LogP 5.95
Rotatable Bonds 12
H-Bond Donors 0
H-Bond Acceptors 2
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Buflomedil

Java required.


Information Structure
Name Buflomedil
Synonyms
4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone
Buflomedil
Buflomedilum
EINECS 259-851-3
ATC C04AX20
CID 2467
CAS 055837257
SMILES COC1=CC(OC)=C(C(=O)CCCN2CCCC2)C(OC)=C1
Formula C17H25NO4
Molweight 307.385
Atoms 22
LogP 2.709
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
2C19Substrate 10909680
11996015
2D6Substrate 10909680
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Extrarenal fraction 0.75
Elimination half-life 3h
Naftidrofuryl

Java required.


Information Structure
Name Naftidrofuryl
Synonyms
2-(Diethylamino)ethyl Tetrahydro-alpha-(1-naphthylmethyl)-2-furanpropionate
3-(1-Naphthyl)-2-tetrahydrofurfurylpropionic Acid 2-(diethylamino)ethyl Ester
alpha-Tetrahydrofurfuryl-1-naphthalenepropionic Acid 2-(diethylamino)ethyl Ester
BRN 1296059
EINECS 250-572-2
LS 84
N-Diethylaminoethyl Beta-(1-naphthyl)-beta-tetrahydrofuryl Isobutyrate
Nafronyl
Naftidrofurilo
Naftidrofuryl
Naftidrofurylum
Naphtidrofuryl
Tetrahydro-alpha-(1-naphthalenylmethyl)-2-furanpropanoic Acid 2-(diethylamino)ethyl Ester
Tetrahydro-alpha-(1-naphthylmethyl)-2-furanpropanoic Acid 2-(diethylamino)ethyl Ester
Tridus
ATC C04AX21
CID 4417
CAS 031329574
SMILES CCN(CC)CCOC(=O)[C@H](C[C@H]1CCCO1)CC2=C3C=CC=CC3=CC=C2
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Elimination half-life 2h
Butalamine

Java required.


Information Structure
Name Butalamine
Synonyms
Butalamina
Butalamine
Butalaminum
EINECS 244-794-9
ATC C04AX23
CID 30949
CAS 022131357
SMILES CCCCN(CCCC)CCNC1=NC(=NO1)C2=CC=CC=C2
Formula C18H28N4O
Molweight 316.441
Atoms 23
LogP 4.1237
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Visnadine

Java required.


Information Structure
Name Visnadine
Synonyms
(alpha-Methylbutyryloxy)-3-acetoxy-4-dihydro-3,4-seselin
3-(alpha-Methylbutyryloxy)-4-acetoxy-3,4-dihydroseseline
5-19-06-00272 (Beilstein Handbook Reference)
BRN 0055264
Cardine
Carduben
Carduben-S
EINECS 207-515-1
Visnadin
Visnadina
Visnadine
Visnadinum
ATC C04AX24
CID 10157
CAS 000477327
SMILES CC[C@@H](C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C2=C3OC(=O)C=CC3=CC=C2OC1(C)C
Formula C21H24O7
Molweight 388.411
Atoms 28
LogP 3.5261
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 7
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Cetiedil

Java required.


Information Structure
Name Cetiedil
Synonyms
2-(Hexahydro-1H-azepin-1-yl)ethyl-alpha-cyclohexyl-3-thiopheneacetic Acid
BRN 1591408
Cetiedil
Cetiedilum
EINECS 238-028-2
ATC C04AX26
CID 66384
CAS 014176104
SMILES O=C(OCCN1CCCCCC1)[C@@H]([C@@H]2CCCCC2)C3=CSC=C3
Formula C20H31NO2S
Molweight 349.531
Atoms 24
LogP 4.7691
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Cinepazide

Java required.


Information Structure
Name Cinepazide
Synonyms
5-23-02-00271 (Beilstein Handbook Reference)
BRN 0903854
Cinepazida
Cinepazide
Cinepazidum
EINECS 245-928-9
Piperazine, 1-((1-pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)-
ATC C04AX27
CID 2759
CAS 023887469
SMILES COC1=CC(C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3)=CC(OC)=C1OC
Formula C22H31N3O5
Molweight 417.499
Atoms 32
LogP 1.3059
Rotatable Bonds 9
H-Bond Donors 0
H-Bond Acceptors 6
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Ifenprodil

Java required.


Information Structure
Name Ifenprodil
Synonyms
4-Benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol
EINECS 245-491-4
Ifenprodil
Ifenprodilum
RC 61-91
ATC C04AX28
CID 3689
CAS 023210562
TTD Drug ID DNC000179
SMILES C[C@H]([C@@H](O)C1=CC=C(O)C=C1)N2CC[C@@H](CC2)CC3=CC=CC=C3
Formula C21H27NO2
Molweight 325.445
Atoms 24
LogP 3.7067
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Azapetine

Java required.


Information Structure
Name Azapetine
Synonyms
5-20-08-00106 (Beilstein Handbook Reference)
5H-Dibenz(c,e)azepine, 6,7-dihydro-6-allyl-
6-Allil-6,7-diidro-5H-dibenzo(c,l)azepina
6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepine
Azapetina
Azapetine
BRN 0194617
EINECS 205-667-3
Ilidar Base
ATC C04AX30
CID 8966
CAS 000146361
SMILES C=CCN1CC2=C(C=CC=C2)C3=C(C1)C=CC=C3
Formula C17H17N
Molweight 235.324
Atoms 18
LogP 3.7931
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 1
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Fasudil

Java required.


Information Structure
Name Fasudil
Synonyms
1-(5-Isoquinolinesulfonyl)homopiperazine
AT 877
Fasudil
Fasudilum
HA 1077
HA1077
Hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine
ATC C04AX32
CID 163751
CAS 103745397
SMILES O=S(=O)(N1CCCNCC1)C2=C3C=CN=CC3=CC=C2
Formula C14H18ClN3O2S
Molweight 327.83
Atoms 21
LogP 3.3683
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 119689431
Papaverine

Java required.


Information Structure
Name Papaverine
Synonyms
1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline
5-21-06-00182 (Beilstein Handbook Reference)
6,7-Dimethoxy-1-veratrylisoquinoline
BRN 0312930
EINECS 200-397-2
HSDB 3147
Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-
Isoquinoline, 6,7-dimethoxy-1-veratryl-
NSC 136630
Papanerin
Papanerine
Papaverin
Papaverina
Papaverine
Robaxapap
ATC A03AD01
C04AX38
G04BE02
CID 4680
CAS 000058742
Drugbank ID DB01113
TTD Drug ID DAP000959
Herbal origin Fetus Powder
root of corydalis
SMILES COC1=C(OC)C=C(CC2=NC=CC3=C2C=C(OC)C(OC)=C3)C=C1
Formula C20H21NO4
Molweight 339.385
Atoms 25
LogP 3.86
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
Q86UG4SLCO6A1 15230338
Extrarenal fraction 1
Elimination half-life 1.8h
Moxaverine

Java required.


Information Structure
Name Moxaverine
Synonyms
3-Ethyl-1-benzyl-6,7-dimethoxyisoquinoline
EINECS 234-117-5
Eupaverin
Moxaverin
Moxaverina
Moxaverine
Moxaverinum
ATC A03AD30
C04AX42
CID 70882
CAS 010539192
SMILES CCC1=NC(CC2=CC=CC=C2)=C3C=C(OC)C(OC)=CC3=C1
Formula C20H21NO2
Molweight 307.386
Atoms 23
LogP 4.4052
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
Q86UG4SLCO6A1 15230338