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]
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]
Molecular Interaction Atlas (MIA) 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.