Details of the Drug

General Information of Drug (ID: DMT6LX9)

Drug Name

N-[4-(1H-benzoimidazol-2-yl)-benzoyl]-guanidine

Synonyms

CHEMBL233862; N-[4-(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)

2.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H13N5O
IUPAC Name: 4-(1H-benzimidazol-2-yl)-N-(diaminomethylidene)benzamide
Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C(=O)N=C(N)N
InChI: InChI=1S/C15H13N5O/c16-15(17)20-14(21)10-7-5-9(6-8-10)13-18-11-3-1-2-4-12(11)19-13/h1-8H,(H,18,19)(H4,16,17,20,21)
InChIKey: RAYGWMJYTDFZDD-UHFFFAOYSA-N

Cross-matching ID

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.