Details of the Drug

General Information of Drug (ID: DMVWQ26)

Drug Name
(beta-CCE)9H-beta-Carboline-3-carboxylic acid
Synonyms
Carboline-3-carboxylic acid; 9H-pyrido[3,4-b]indole-3-carboxylic acid; 74214-63-4; 9H-beta-carboline-3-carboxylic acid; beta-carboline-3-carboxylic acid; NSC623957; 9H-Pyrido(3,4-b)indole-3-carboxylic acid; beta-Carboline carboxylic acid; 3-carboxy-beta-carboline; AC1L59WQ; MLS001198085; CHEMBL11908; b-carboline-3-carboxylic acid; SCHEMBL1180278; beta-carbolin-3-carboxylic acid; DTXSID30225209; MolPort-000-872-217; ARLVFKCLBYUINL-UHFFFAOYSA-N; HMS3433I21; HMS1620B11; ZINC20104435; AKOS021730281; CCG-125106; NSC-623957
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) 212.2
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H8N2O2
IUPAC Name
9H-pyrido[3,4-b]indole-3-carboxylic acid
Canonical SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O
InChI
InChI=1S/C12H8N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-6,14H,(H,15,16)
InChIKey
ARLVFKCLBYUINL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
173262
CAS Number
74214-63-4
TTD ID
D0S9YE

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 gamma-2 (GABRG2) TT06RH5 GBRG2_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 Benzodiazepine receptor affinity and interaction of some N-(indol-3-ylglyoxylyl)amine derivatives. J Med Chem. 1992 Jun 12;35(12):2214-20.