Details of the Drug

General Information of Drug (ID: DMTBX0D)

Drug Name

3-Methoxy-9H-beta-carboline

Synonyms

3-methoxy-9H-pyrido[3,4-b]indole; NSC627681; 91985-82-9; 9H-Pyrido[3,4-b]indole, 3-methoxy-; AC1Q4YMW; 3-Methoxy-beta-carboline; AC1L7M1C; 3-Methoxy-9H-; CHEMBL54228; CHEMBL496741; 3-Methoxy-9H-.beta.-carboline; SCHEMBL10646617; NSC-627681; 9H-.Beta.-Carbolin-3-yl methyl ether

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)

198.22

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H10N2O
IUPAC Name: 3-methoxy-9H-pyrido[3,4-b]indole
Canonical SMILES: COC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI: InChI=1S/C12H10N2O/c1-15-12-6-9-8-4-2-3-5-10(8)14-11(9)7-13-12/h2-7,14H,1H3
InChIKey: UFGGNIMGPVLCJZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 363113
TTD ID: D09NNI

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.