Details of the Drug

General Information of Drug (ID: DM2HCUK)

Drug Name
(5-phenyl-3H-benzo[d]imidazol-4-yl)methanamine
Synonyms CHEMBL255554; SCHEMBL3149686; ZINC11687646
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) 223.27
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H13N3
IUPAC Name
(5-phenyl-1H-benzimidazol-4-yl)methanamine
Canonical SMILES
C1=CC=C(C=C1)C2=C(C3=C(C=C2)NC=N3)CN
InChI
InChI=1S/C14H13N3/c15-8-12-11(10-4-2-1-3-5-10)6-7-13-14(12)17-9-16-13/h1-7,9H,8,15H2,(H,16,17)
InChIKey
IYXQHXUCPDCZDQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11615508
TTD ID
D0N5CI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dipeptidyl peptidase 4 (DPP-4) TTDIGC1 DPP4_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
Dipeptidyl peptidase 4 (DPP-4) DTT DPP4 9.54E-01 -0.27 -1.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett. 2008 Apr 1;18(7):2362-7.