Details of the Drug

General Information of Drug (ID: DM75U9X)

Drug Name

Benzimidazole 5-carboxamide

Synonyms

116568-17-3; 1H-Benzo[d]imidazole-6-carboxamide; 1H-benzimidazole-5-carboxamide; 1H-Benzoimidazole-5-carboxylic acid amide; 1H-Benzimidazole-6-carboxamide; 1H-Benzo[d]imidazole-5-carboxamide; 1H-1,3-benzodiazole-5-carboxamide; benzimidazole-5-carboxamide; FNLQDVXHDNFXIY-UHFFFAOYSA-N; ACMC-20mmnb; benzoimidazole-5-carboxamide; SCHEMBL476587; 1H-Benzoimidazole-5-carboxamide; CTK8E3251; CTK0H3052; DTXSID30572624; MolPort-000-353-183; BCP27970; 2711AA; ZINC27986912; STL200279; AKOS002314950; AKOS022171450; FS-2220; MCULE-9328613043

Indication

Disease Entry	ICD 11	Status	REF
Hepatovirus infection	1E51	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

161.16

Topological Polar Surface Area (xlogp)

0.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C8H7N3O
IUPAC Name: 3H-benzimidazole-5-carboxamide
Canonical SMILES: C1=CC2=C(C=C1C(=O)N)NC=N2
InChI: InChI=1S/C8H7N3O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChIKey: FNLQDVXHDNFXIY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15421642
CAS Number: 116568-17-3
TTD ID: D0D4QL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Emerging antiviral drugs. Expert Opin Emerg Drugs. 2008 Sep;13(3):393-416.
2	Antiviral drugs in current clinical use. J Clin Virol. 2004 Jun;30(2):115-33.
3	HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.Nat Struct Mol Biol.2012 Jan 22;19(2):253-9.
4	A peptide inhibitor of HIV-1 reverse transcriptase using alpha,beta-dehydro residues: a structure-based computer model. J Biomol Struct Dyn. 1998 Oct;16(2):347-54.
5	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
6	Quadruple nucleos(t)ide reverse transcriptase inhibitors-only regimen of tenofovir plus zidovudine/lamivudine/abacavir in heavily pre-treated HIV-1 infected patients: salvage therapy or backbone only Curr HIV Res. 2009 May;7(3):320-6.
7	2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.