General Information of Drug (ID: DMI9GQV)

Drug Name
N-[2-(1H-benzoimidazol-2-yl)-benzoyl]-guanidine
Synonyms CHEMBL233863; N-[2-(1H-benzoimidazol-2-yl)-benzoyl]-guanidine
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) 279.3
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H13N5O
IUPAC Name
2-(1H-benzimidazol-2-yl)-N-(diaminomethylidene)benzamide
Canonical SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)C(=O)N=C(N)N
InChI
InChI=1S/C15H13N5O/c16-15(17)20-14(21)10-6-2-1-5-9(10)13-18-11-7-3-4-8-12(11)19-13/h1-8H,(H,18,19)(H4,16,17,20,21)
InChIKey
FJRZRURKRDCIKZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44430730
TTD ID
D01RDB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium/hydrogen exchanger 1 (SLC9A1) TTGSEFH SL9A1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines as novel Na+/H+ exchanger inhibitors, synthesis and protection against ischemic-... Bioorg Med Chem Lett. 2007 May 1;17(9):2430-3.