Details of the Drug

General Information of Drug (ID: DMUF16A)

Drug Name
(9H-beta-Carbolin-3-yl)-methanol
Synonyms
3-hydroxymethyl-beta-carboline; 65474-79-5; UNII-00QJ5EQT3E; 9H-pyrido[3,4-b]indol-3-ylmethanol; 00QJ5EQT3E; 3-HMC; 3-(hydroxymethyl)-beta-carboline; 3-HYDROXYMETHYL-b-CARBOLINE; 9H-Pyrido[3,4-b]indole-3-methanol; 9H-pyrido(3,4-b)indole-3-methanol; Prestwick_970; Biomol-NT_000286; AC1NS42Q; DivK1c_000628; 9H-beta-carboline-3-methanol; CHEMBL417982; SCHEMBL2216848; BPBio1_001234; KBio1_000628; CTK2F5969; HMS501P10; DTXSID20215795; MolPort-005-942-230; CPBYHTDUBNSBQM-UHFFFAOYSA-N; CHEBI:114188; NINDS_000628; ZINC11535632
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) 198.22
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H10N2O
IUPAC Name
9H-pyrido[3,4-b]indol-3-ylmethanol
Canonical SMILES
C1=CC=C2C(=C1)C3=C(N2)C=NC(=C3)CO
InChI
InChI=1S/C12H10N2O/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8/h1-6,14-15H,7H2
InChIKey
CPBYHTDUBNSBQM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5353338
ChEBI ID
CHEBI:114188
CAS Number
65474-79-5
TTD ID
D06BNI

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 Synthesis of 6-substituted beta-carbolines that behave as benzodiazepine receptor antagonists or inverse agonists. J Med Chem. 1987 Apr;30(4):750-3.