Details of the Drug

General Information of Drug (ID: DMIWT60)

Drug Name
4-(5-Methoxy-benzoimidazol-1-yl)-phenylamine
Synonyms
5-Substituted 1-Phenylbenzimidazole 22; AC1NS4PO; SCHEMBL7989819; CHEMBL309035; BDBM3933; AKOS023129997; 4-(5-methoxybenzimidazol-1-yl)aniline; 5-Methoxy-1-(4-aminophenyl)-1H-benzimidazole; 4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline; 1-(4-aminophenyl)-5-methoxybenzimidazole dihydrochloride
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) 239.27
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H13N3O
IUPAC Name
4-(5-methoxybenzimidazol-1-yl)aniline
Canonical SMILES
COC1=CC2=C(C=C1)N(C=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H13N3O/c1-18-12-6-7-14-13(8-12)16-9-17(14)11-4-2-10(15)3-5-11/h2-9H,15H2,1H3
InChIKey
KLJLVCKIKCKKEA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5328512
TTD ID
D0K2YG

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Structure-activity relationships for 5-substituted 1-phenylbenzimidazoles as selective inhibitors of the platelet-derived growth factor receptor. J Med Chem. 1999 Jul 1;42(13):2373-82.