Compound - Results

Bromocriptine

Java required.


Information Structure
Name Bromocriptine
Synonyms
2-Bromo-12-hydroxy-2-(1-methylethyl)-5-alpha-(2-methylpropyl)ergotamin-3,6,18-trione
2-Bromo-alpha-ergocryptine
2-Bromo-alpha-ergokryptin
2-Bromo-alpha-ergokryptine
Bromergocryptine
Bromocriptin
Bromocriptina
Bromocriptine
Bromocriptinum
Bromocryptine
Bromoergocriptine
Bromoergocryptine
CB-154
CCRIS 3244
EINECS 247-128-5
ATC G02CB01
N04BC01
CID 2443
CAS 025614033
Drugbank ID DB01200
SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(C4=C3)=C56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C
Formula C32H40BrN5O5
Molweight 654.594
Atoms 43
LogP 3.3974
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 8
CYP interactions
NameRelationsReferences
1A2Inhibitor umm
3A4Substrate Inhibitor 8055971
9321526
8866917
8689938
9321526
16229479
umm
Phase2 interactions
NameReferences
NAT 1979809
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 118598736
Extrarenal fraction 1
Elimination half-life 7h
Pergolide

Java required.


Information Structure
Name Pergolide
Synonyms
Pergolida
Pergolide
Pergolidum
ATC N04BC02
CID 4745
CAS 066104221
SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34
Formula C19H26N2S
Molweight 314.488
Atoms 22
LogP 4.209
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2D6Inhibitor 9321526
9321526
3A4Substrate Inhibitor Lexi-Comp
9321526
9321526
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 118598736
Dihydroergocryptine Mesylate

Java required.


Information Structure
Name Dihydroergocryptine mesylate
Synonyms
9,10-Dihydroergocristine Methanesulfonate
Dihydroergocristine Mesylate
Dihydroergocristinmesilat
Dihydroergocryptine Mesylate
EINECS 246-434-6
Ergocristine, 9,10-dihydro-, Monomethanesulfonate (salt)
Ergocristine, Dihydro-, Methanesulfonate
ATC N04BC03
CID 444034
CAS 024730107
SMILES CCC[C@@]5(NC(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=C3C2=CC=C4)N(C)C1)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=CC=C8)N6C5=O
Formula C36H45N5O8S
Molweight 707.836
Atoms 50
LogP 3.5066
Rotatable Bonds 6
H-Bond Donors 4
H-Bond Acceptors 12
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 118598736
Ropinirole

Java required.


Information Structure
Name Ropinirole
Synonyms
Ropinirol
Ropinirole
Ropinirolum
ATC N04BC04
CID 5095
CAS 091374219
Drugbank ID DB00268
TTD Drug ID DNC001012
SMILES CCCN(CCC)CCC1=CC=CC2=C1CC(=O)N2
Formula C16H24N2O
Molweight 260.375
Atoms 19
LogP 2.9837
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
1A2Substrate Inhibitor 11069211
9224778
9321526
11069211
9321526
2D6Inhibitor umm
9321526
3A4Substrate umm
9224778
Transporter
AC-No.NameReferences
P08183Multidrug resistance protein 118598736
Extrarenal fraction 0.9
Elimination half-life 6h
Pramipexole

Java required.


Information Structure
Name Pramipexole
Synonyms
(-)-Pramipexole
Pramipexol
Pramipexole
Pramipexolum
SUD919CL2Y
U-98528E
ATC N04BC05
CID 119570
CAS 104632260
SMILES CCCN[C@@H]1CCC2=C(C1)SC(N)=N2
Formula C10H17N3S
Molweight 211.327
Atoms 15
LogP 2.5543
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 3 15473914
O15244Solute carrier family 22 member 220496886
O15245Solute carrier family 22 member 120680652
Cabergoline

Java required.


Information Structure
Name Cabergoline
Synonyms
BRN 6020775
Cabergolina
Cabergoline
Cabergolinum
Dostinex
FCE 21336
ATC G02CB03
N04BC06
CID 54746
CAS 081409907
Drugbank ID DB00248
TTD Drug ID DAP000251
SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(CC=C)C1
Formula C26H37N5O2
Molweight 451.604
Atoms 36
LogP 3.5227
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 6
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 3 15473914
O15244Solute carrier family 22 member 220496886
O15245Solute carrier family 22 member 120680652
Extrarenal fraction 0.97
Elimination half-life 63h - 109 h
Apomorphine

Java required.


Information Structure
Name Apomorphine
Synonyms
(-)-10,11-Dihydroxyaporphine
(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol
4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (R)-
6abeta-Aporphine-10,11-diol
Apomorfin
Apomorphin
Apomorphine
EINECS 200-360-0
HSDB 3289
L-Apomorphine
R-(-)-Apomorphine
Uprima
ATC G04BE07
N04BC07
V03AB45
CID 6005
CAS 000058004
Drugbank ID DB00714
TTD Drug ID DNC000241
SMILES CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(O)=C(O)C=C4
Formula C17H17NO2
Molweight 267.322
Atoms 21
LogP 2.7878
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 3
Phase2 interactions
NameReferences
NAT 1686620,
20504441
SUL 14660177,
14660177,
12564743,
12162854
Transporter
AC-No.NameReferences
Q05940Monoamine transporter15178358
Extrarenal fraction 0.6
Elimination half-life 2h
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
Q05940Monoamine transporter15178358
Rotigotine

Java required.


Information Structure
Name rotigotine
Synonyms
(-)-(s)-5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol
(-)-n-0437
(6s)-6-(propyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol
(6s)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
1-naphthalenol, 5,6,7,8-tetrahydro-6-(propyl (2-(2-thienyl)ethyl)amino-(6s)-
99755-59-6
ac-3547
ac1l1qqg
c19h25nos
chebi:358371
chembl1303
cid59227
d05768
leganto
ls-178435
n 0437, (-)-isomer
n 0923
n-0437
n-0923
ncgc00168748-01
neupro
neupro (tn)
rotigotine
rotigotine (usan/inn)
rotigotine Cds
rotigotine Cds Patch
rotigotine [usan:inn]
spm 962
spm-936
spm-937
spm-962
unii-87t4t8bo2e
ATC N04BC09
CID 59227
CAS cid59227
Drugbank ID DB05271
TTD Drug ID DNC001234
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
Q05940Monoamine transporter15178358
Extrarenal fraction 0.94
Elimination half-life 6.0h
Lisuride

Java required.


Information Structure
Name Lisuride
Synonyms
EINECS 241-925-1
Lisurid
Lisurida
Lisuride
Lisuridum
Lysuride
N-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea
ATC G02CB02
N02CA07
N04BC10
CID 28864
CAS 018016803
Drugbank ID DB00589
TTD Drug ID DNC001251
SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2CC3=CNC4=CC=CC(C2=C1)=C34
Formula C20H26N4O
Molweight 338.447
Atoms 27
LogP 3.1702
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2D6Substrate 8666035
3A4Substrate 8666035
8666035
Transporter
AC-No.NameReferences
Q05940Monoamine transporter15178358
Extrarenal fraction 1
Elimination half-life 2h