Details of the Drug

General Information of Drug (ID: DMBWAMR)

Drug Name

9H-beta-Carbolin-3-ol

Synonyms

3-hydroxy-beta-carboline; 91985-78-3; 3H-Pyrido[3,4-b]indol-3-one, 2,9-dihydro-; beta-Carbolin-3-ol; ACMC-20lva1; CHEMBL443140; CHEMBL299662; SCHEMBL10644440; CTK3H2577; 9H-pyrido[3,4-b]indol-3-ol; DTXSID90556566; UDTDJSXOXQLKGM-UHFFFAOYSA-N; AKOS006373463

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

184.19

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H8N2O
IUPAC Name: 2,9-dihydropyrido[3,4-b]indol-3-one
Canonical SMILES: C1=CC=C2C(=C1)C3=CC(=O)NC=C3N2
InChI: InChI=1S/C11H8N2O/c14-11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H,(H,12,14)
InChIKey: UDTDJSXOXQLKGM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 14146438
CAS Number: 91985-78-3
TTD ID: D0F8AP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis of novel 3-substituted beta-carbolines as benzodiazepine receptor ligands: probing the benzodiazepine receptor pharmacophore. J Med Chem. 1988 Sep;31(9):1854-61.