General Information of Drug (ID: DMN2XTQ)

Drug Name
B173
Synonyms
BRL 54443 maleate; BRL 54443 maleate salt; 1197333-54-2; EU-0100207; 3-(1-Methylpiperidin-4-yl)-1H-indol-5-ol maleate; SCHEMBL4799792; CHEMBL1256797; MolPort-003-940-420; BRL 54443 maleate salt, solid; HMS3260J15; Tox21_500207; BN0117; LP00207; CCG-221511; NCGC00093680-01; NCGC00260892-01; B-173; SR-01000075573-1; J-004192; 3-(1-Methylpiperidin-4-yl)-1H-indol-5-ol maleate salt
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 346.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C18H22N2O5
IUPAC Name
(Z)-but-2-enedioic acid;3-(1-methylpiperidin-4-yl)-1H-indol-5-ol
Canonical SMILES
CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)O.C(=C\\C(=O)O)\\C(=O)O
InChI
InChI=1S/C14H18N2O.C4H4O4/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14;5-3(6)1-2-4(7)8/h2-3,8-10,15,17H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
INGCLXPSKXSYND-BTJKTKAUSA-N
Cross-matching ID
PubChem CID
11957480
TTD ID
D0S2BB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1E receptor (HTR1E) TTCPG9S 5HT1E_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The gamma-aminobutyric acid-B receptor agonist baclofen attenuates responding for ethanol in ethanol-dependent rats. Alcohol Clin Exp Res. 2007 Jan;31(1):11-8.