Details of the Drug

General Information of Drug (ID: DMGV6BI)

Drug Name
1-Phenyl-1H-benzoimidazol-5-ol
Synonyms
1-Phenyl-5-hydroxybenzimidazole; 1-phenyl-1H-Benzimidazol-5-ol; 69445-45-0; 1-Phenylbenzimidazole deriv. 65; AC1LDIKP; 1-phenylbenzimidazol-5-ol; CHEMBL80873; SCHEMBL4280861; BDBM3848; 5-hydroxy-1-phenylbenzimidazole; CTK5C9901; ZINC17525; DTXSID70349872; 1-Phenyl-1H-benzimidazole-5-ol; 1H-Benzimidazol-5-ol,1-phenyl-; OQAPWZCMAFFBBL-UHFFFAOYSA-N; 1-phenyl-1H-1,3-benzodiazol-5-ol; AKOS022650144; 5-Substituted 1-Phenylbenzimidazole 5; DA-04176; KB-219704; FT-0734974
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) 210.23
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H10N2O
IUPAC Name
1-phenylbenzimidazol-5-ol
Canonical SMILES
C1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)O
InChI
InChI=1S/C13H10N2O/c16-11-6-7-13-12(8-11)14-9-15(13)10-4-2-1-3-5-10/h1-9,16H
InChIKey
OQAPWZCMAFFBBL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
667662
ChEBI ID
CHEMBL80873
CAS Number
69445-45-0
TTD ID
D00YCU
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Platelet-derived growth factor receptor alpha (PDGFRA) TT8FYO9 PGFRA_HUMAN Inhibitor [1]
Platelet-derived growth factor receptor beta (PDGFRB) TTI7421 PGFRB_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Platelet-derived growth factor receptor beta (PDGFRB) DTT PDGFRB 5.35E-10 0.36 0.89
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References

1 Structure-activity relationships for 1-phenylbenzimidazoles as selective ATP site inhibitors of the platelet-derived growth factor receptor. J Med Chem. 1998 Dec 31;41(27):5457-65.