Details of the Drug

General Information of Drug (ID: DMVHMPC)

Drug Name

(9H-beta-Carbolin-3-yl)-ethyl-amine

Synonyms

9H-Pyrido[3,4-b]indol-3-amine, N-ethyl-; 95935-52-7; ACMC-20m0fc; CHEMBL353967; N-Ethyl-beta-carboline-3-amine; CTK3F3147; DTXSID30541219; N-Ethyl-9H-beta-carbolin-3-amine

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)

211.26

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H13N3
IUPAC Name: N-ethyl-9H-pyrido[3,4-b]indol-3-amine
Canonical SMILES: CCNC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI: InChI=1S/C13H13N3/c1-2-14-13-7-10-9-5-3-4-6-11(9)16-12(10)8-15-13/h3-8,16H,2H2,1H3,(H,14,15)
InChIKey: AANHPEPPBKKLLX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 13450926
CAS Number: 95935-52-7
TTD ID: D0K6WD

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	3-Amino-beta-carboline derivatives and the benzodiazepine receptor. Synthesis of a selective antagonist of the sedative action of diazepam. J Med Chem. 1985 Jun;28(6):824-8.