Details of the Drug

General Information of Drug (ID: DMAXS9H)

Drug Name

(6-Benzylamino-9H-beta-carbolin-3-yl)-methanol

Synonyms

[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol; NSC629814; AC1NTT2B; CHEMBL166270; CHEMBL2008860; NCI60_009695; (6-(Benzylamino)-9H-beta-carbolin-3-yl)methanol hydrochloride

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)

303.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H17N3O
IUPAC Name: [6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
Canonical SMILES: C1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC4=C3C=C(N=C4)CO
InChI: InChI=1S/C19H17N3O/c23-12-15-9-17-16-8-14(20-10-13-4-2-1-3-5-13)6-7-18(16)22-19(17)11-21-15/h1-9,11,20,22-23H,10,12H2
InChIKey: PCESGKMKSBKSOT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5387929
TTD ID: D04JTK

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 6-substituted beta-carbolines that behave as benzodiazepine receptor antagonists or inverse agonists. J Med Chem. 1987 Apr;30(4):750-3.