Compound - Results

Tacrine

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Information Structure
Name Tacrine
Synonyms
1,2,3,4-Tetrahydro-9-acridinamine
5-22-10-00480 (Beilstein Handbook Reference)
5-Amino-6,7,8,9-tetrahydroacridine (European)
9-Amino-1,2,3,4-tetrahydroacridine
BRN 0147610
CS 12602
EINECS 206-291-2
Tacrina
Tacrine
Tacrinum
Tetrahydroaminacrine
Tetrahydroaminoacridine
Tetrahydroaminocrin
Tetrahydroaminocrine
ATC N06DA01
CID 1935
CAS 000321642
Drugbank ID DB00382
TTD Drug ID DAP000558
SMILES NC1=C2CCCCC2=NC3=C1C=CC=C3
Formula C13H14N2
Molweight 198.264
Atoms 15
LogP 3.277
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
1A2Substrate 16128907
9065747
10594467
7946932
Phase2 interactions
NameReferences
GST 10801254
MET 1886293,
2403387,
1530666,
15834447,
8978720
Extrarenal fraction 0.95
Elimination half-life 2.7h
Donepezil

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Information Structure
Name Donepezil
Synonyms
Donepezil
ATC N06DA02
CID 3152
CAS 120014064
Drugbank ID DB00843
TTD Drug ID DAP000560
SMILES COC1=C(OC)C=C2C(=O)[C@H](C[C@H]3CCN(CC3)CC4=CC=CC=C4)CC2=C1
Formula C24H29NO3
Molweight 379.492
Atoms 28
LogP 4.299
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2D6Substrate 12162759
12616671
3A4Substrate 12162759
12616671
Extrarenal fraction 0.95
Elimination half-life 87h
Rivastigmine

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Information Structure
Name Rivastigmine
Synonyms
3-((1S)-1-(Dimethylamino)ethyl)phenyl Ethylmethylcarbamate
Carbamic Acid, Ethylmethyl-, 3-((1S)-1-(dimethylamino)ethyl)phenyl Ester
ENA 713 Free Base
Exelon
Rivastigmine
SDZ 212-713
ATC N06DA03
CID 77991
CAS 123441032
Drugbank ID DB00989
TTD Drug ID DAP000149
SMILES CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
Formula C14H22N2O2
Molweight 250.337
Atoms 18
LogP 2.7597
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
2D6Inhibitor 12162759
3A4Inhibitor 12162759
Transporter
AC-No.NameReferences
Q16572Vesicular acetylcholine transporter 15195690
Extrarenal fraction 1
Elimination half-life 1h
Galantamine

Java required.


Information Structure
Name Galantamine
Synonyms
4-27-00-02184 (Beilstein Handbook Reference)
BRN 0093736
Galantamin
Galantamina
Galantamine
Galantaminum
Galanthamine
Galanthaminum
Jilkon
Lycoremin
Lycoremine
NSC 100058
ATC N06DA04
CID 9651
CAS 000357700
TTD Drug ID DAP000559
SMILES COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
Formula C17H21NO3
Molweight 287.354
Atoms 21
LogP 1.7882
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2D6Substrate 12162759
14674789
12177686
12751272
10634129
3A4Substrate 12162759
14674789
12177686
Transporter
AC-No.NameReferences
Q16572Vesicular acetylcholine transporter 19021024
Q9GZV3High affinity choline transporter 122191561
Extrarenal fraction 0.8
Elimination half-life 5h