Details of the Drug

General Information of Drug (ID: DMEJKZN)

Drug Name

3-Methyl-9H-beta-carboline

Synonyms

3-methyl-beta-carboline; 3-Methyl-9h-pyrido[3,4-b]indole; CHEMBL344859; 18203-06-0; 3-Methyl-9H-beta-carboline; 3-methyl-b-carboline; SCHEMBL3333771; XOHBPUCYRSORIZ-UHFFFAOYSA-N; BDBM50035527

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 (mw)

182.22

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C12H10N2
IUPAC Name: 3-methyl-9H-pyrido[3,4-b]indole
Canonical SMILES: CC1=CC2=C(C=N1)NC3=CC=CC=C32
InChI: InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,14H,1H3
InChIKey: XOHBPUCYRSORIZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 13315103
TTD ID: D03YLX

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]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor. J Med Chem. 1994 Dec 23;37(26):4576-80.