Details of the Drug

General Information of Drug (ID: DMCMNKA)

Drug Name
5-(4-Methoxy-phenyl)-1-phenyl-1H-benzoimidazole
Synonyms benzimidazole 2; AC1NS6L8; CHEMBL81026; SCHEMBL7683792; BDBM5295; MolPort-028-745-333; ZINC13536068; 5-(4-methoxyphenyl)-1-phenylbenzimidazole; 1-Phenyl-5-(4-methoxyphenyl)-1H-benzimidazole
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) 300.4
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H16N2O
IUPAC Name
5-(4-methoxyphenyl)-1-phenylbenzimidazole
Canonical SMILES
COC1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O/c1-23-18-10-7-15(8-11-18)16-9-12-20-19(13-16)21-14-22(20)17-5-3-2-4-6-17/h2-14H,1H3
InChIKey
OPGUZRRLMQSMAQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5329338
ChEBI ID
CHEMBL81026
TTD ID
D0U3ZP
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vascular endothelial growth factor receptor 2 (KDR) TTUTJGQ VGFR2_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
Vascular endothelial growth factor receptor 2 (KDR) DTT KDR 1.98E-01 0.11 0.2
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design and synthesis of 1,5-diarylbenzimidazoles as inhibitors of the VEGF-receptor KDR. Bioorg Med Chem Lett. 2003 Aug 4;13(15):2485-8.