Compound - Results

Memantine

Java required.


Information Structure
Name Memantine
Synonyms
,3-Dimethyl-5-aminoadamantane
1,3-Dimethyl-5-adamantanamine
1-Amino-3,5-dimethyladamantane
3,5-Dimethyl-1-adamantylamine
3,5-Dimethyltricyclo(3.3.1.1(3,7))decan-1-amine
D 145
D-145
DMAA
DRG-0267
Memantina
Memantine
Memantinum
Namenda
ATC N06DX01
CID 167250
CAS 019982082
Drugbank ID DB01043
SMILES C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](N)(C3)C2
Formula C2H6AsO2
Molweight 136.989
Atoms 5
LogP 0.5492
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2A6Inhibitor 15378224
15378224
2B6Inhibitor 15378224
15378224
2C19Inhibitor 15378224
15378224
2D6Inhibitor 15378224
Extrarenal fraction 0.5
Elimination half-life 65h
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
P08183P-glycoprotein 119689431
Extrarenal fraction 0.95
Elimination half-life 2h
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
P08183P-glycoprotein 119689431
Extrarenal fraction 0.95
Elimination half-life 18h
Cinnarizin

Java required.


Information Structure
Name Cinnarizin
Synonyms
1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazine
1-Cinnamyl-4-(diphenylmethyl)piperazine
5-23-01-00233 (Beilstein Handbook Reference)
516 MD
BRN 0626121
Cinarizina
Cinnarizine
Cinnarizinum
Dimitron
Dimitronal
EINECS 206-064-8
Folcodal
Glanil
Labyrin
Lazeta
Marisan
Midronal
Mitronal
R 1575
R 516
Sepan
Stugeron
Stutgeron
Stutgin
Toliman
ATC N06DX12
N07CA02
CID 2761
CAS 000298577
Drugbank ID DB00568
TTD Drug ID DAP000325
SMILES C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
Formula C26H28N2
Molweight 368.514
Atoms 30
LogP 4.9828
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
1A1Substrate 8951176
1A2Substrate 8951176
2A6Substrate 8951176
2B6Substrate 8951176
8951176
2C9Substrate 8951176
2D6Substrate 8951176
8951176
Transporter
AC-No.NameReferences
P08183P-glycoprotein 119689431
Nicergoline

Java required.


Information Structure
Name Nicergoline
Synonyms
(+)-10-Methoxy-1,6-dimethylergoline-8-beta-methanol 5-bromonicotinate
1-Methyl-lumilysergol 8-(5-bromonicotinate) 10-methyl Ether
10-Methoxy-1,6-dimethyl-ergolin-8-beta-methanol-(5-bromnicotinat)
10-Methoxy-1,6-dimethylergoline-8-methanol 5-bromo-3-pyrindinecarboxylate (ester)
10-Methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate
10-Methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate (ester)
8-beta-((5-Bromonicotinoyloxy)methyl)-1,6-dimethyl-10-alpha-methoxyergoline
BRN 4828393
EINECS 248-694-6
Ergoline-8-beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromo-3-pyridinecarboxylate (ester)
FI 6714
Nicergolin
Nicergolina
Nicergoline
Nicergolinum
Nicotergoline
Nimergoline
Nimergoline Base
NSC 150531
RP 19651
ATC C04AE02
N06DX13
CID 34040
CAS 027848846
Drugbank ID DB00699
TTD Drug ID DAP000902
SMILES CO[C@]12C[C@@H](COC(=O)C3=CC(Br)=CN=C3)CN(C)[C@@H]1CC4=CN(C)C5=CC=CC2=C45
Formula C24H26BrN3O3
Molweight 484.386
Atoms 33
LogP 3.8488
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
2D6Substrate 8971425
Transporter
AC-No.NameReferences
P08183P-glycoprotein 119689431
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
Transporter
AC-No.NameReferences
P08183P-glycoprotein 119689431
Xantinol Nicotinate

Java required.


Information Structure
Name Xantinol nicotinate
Synonyms
7- 2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl Theophylline, Compound With Nicotinic Acid (1:1)
7-(2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline Compd. With Nicotinic Acid
7-(3-(N-(2-Hydroxyethyl)amino)-2-hydroxypropyl)thiophylline Nicotinate
Angioamin
Angiomin
Complamex
Complamin
Complamin Retard
Contamex
EINECS 207-115-7
Landrina
Methoxylin, Compd. With Nicotinic Acid
Nicotinate De Xantinol
Nicotinato De Xantinol
NSC 113217
Sadamin
Sadamine
SK 331 A
Stenalgil
Teonicol
Vedrin
Xanidil
Xanthinol Niacinate
Xanthinol Nicotinate
Xanthinolium Nicotinicum
Xantinol Nicotinate
Xantinoli Nicotinas
Xantinolnicotinat
Xantinolo Nicotinato
Xavin
ATC C04AD02
C10AD08
N06DX15
CID 9912
CAS 000437741
SMILES CN(CCO)C[C@@H](O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Formula C19H26N6O6
Molweight 434.446
Atoms 31
LogP -1.5015
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 9
Transporter
AC-No.NameReferences
P08183P-glycoprotein 119689431
Pentifylline

Java required.


Information Structure
Name Pentifylline
Synonyms
1-Hexyl-3,7-dimethylxanthine
1-Hexyltheobromine
3,7-Dimethyl-1-hexyl-1H,3H-purin-2,6-dione
4-26-00-02351 (Beilstein Handbook Reference)
BRN 0270632
Cosadon
Cosaldon
EINECS 213-842-0
Hexyltheobromine
Pentifilina
Pentifyllin
Pentifylline
Pentifyllinum
SK 7
SK 7 (Pharmaceutical)
Theobromine, 1-hexyl-
ATC C04AD01
N06DX16
CID 70569
CAS 001028337
SMILES CCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O
Formula C13H20N4O2
Molweight 264.323
Atoms 19
LogP 1.014
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P08183P-glycoprotein 119689431
Nicotinyl Alcohol (pyridylcarbinol)

Java required.


Information Structure
Name Nicotinyl alcohol (pyridylcarbinol)
Synonyms
3-(Hydroxymethyl)pyridine
3-Picolyl Alcohol
3-Pyridinylmethanol
3-Pyridylcarbinol
3-Pyridylmethanol
5-21-02-00172 (Beilstein Handbook Reference)
beta-Picolyl Alcohol
beta-Pyridinecarbinol
BRN 0107851
EINECS 202-864-6
Nicotinic Alcohol
Nicotinyl Alcohol
Nicotinyl Alcohol (pyridylcarbinol)
Nicotinylalkohol(Pyridylcarbinol)
NSC 526046
NU-2121
Pyridine-3-carbinol
Ro-1-5155
Roniacol
ATC C04AC02
C10AD05
N06DX17
CID 7510
CAS 000100550
SMILES OCC1=CC=CN=C1
Formula C6H7NO
Molweight 109.126
Atoms 8
LogP 0.5739
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2A6Substrate 18559554
Transporter
AC-No.NameReferences
P08183P-glycoprotein 119689431
Nimodipine

Java required.


Information Structure
Name Nimodipine
Synonyms
BAY E 9736
BRN 0459792
DRG-0139
EINECS 266-127-0
Isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
Nimodipin
Nimodipine
Nimodipino
Nimodipinum
Nimotop
Periplum
ATC C08CA06
N06DX18
CID 4497
CAS 066085594
Drugbank ID DB00393
TTD Drug ID DAP000306
SMILES COCCOC(=O)C1=C(C)NC(C)=C([C@@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OC(C)C
Formula C21H26N2O7
Molweight 418.44
Atoms 30
LogP 3.8228
Rotatable Bonds 10
H-Bond Donors 0
H-Bond Acceptors 8
CYP interactions
NameRelationsReferences
3A4Substrate 8788564
11996015
11501176
3A5Substrate 11501176
Transporter
AC-No.NameReferences
Q9UNQ0Breast cancer resistance protein16247709
Extrarenal fraction 1
Elimination half-life 1.5h
Dihydroergocristine

Java required.


Information Structure
Name Dihydroergocristine
Synonyms
9,10-Dihydroergocristine
CCRIS 4027
Dihydroergocristin
Dihydroergocristine
EINECS 241-493-4
Ergocristine, Dihydro-
ATC C04AE04
N06DX19
CID 3065
CAS 017479195
SMILES CC(C)[C@@]5(NC(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C)C1)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=CC=C8)N6C5=O
Formula C35H41N5O5
Molweight 611.731
Atoms 45
LogP 2.9218
Rotatable Bonds 6
H-Bond Donors 3
H-Bond Acceptors 9
Transporter
AC-No.NameReferences
Q9UNQ0Breast cancer resistance protein16247709
Extrarenal fraction 1
Elimination half-life 14h