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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL212579
CHEMBL212579
Compound Name BENZAMIL
ChEMBL Synonyms Benzamil | GNF-Pf-192 | Benzamil HCl
Max Phase 0
Trade Names
Molecular Formula C13H14ClN7O

Additional synonyms for CHEMBL212579 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N\C(=N/C(=O)c1nc(Cl)c(N)nc1N)\NCc2ccccc2
Standard InChI InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13 ...
Download InChI
Standard InChI Key KXDROGADUISDGY-UHFFFAOYSA-N

Structural Alerts

There are 5 structural alerts for CHEMBL212579. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL212579

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
319.8 319.0948 1.04 4 145.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 8 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.35 3.22 3.22 2 22 0.48

Compound Cross References

ChemSpider ChemSpider:KXDROGADUISDGY-UHFFFAOYSA-N
PubChem SID: 11110839 SID: 11110840 SID: 124879400 SID: 124879401 SID: 174006293 SID: 26755323 SID: 26755660 SID: 26755661 SID: 90341795
Wikipedia Benzamil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL212579



ACToR 2898-76-2
BindinDB 81819
FDA SRS 04659UUJ94
Guide to Pharmacology 4145
IBM Patent System 316E0DED6A52B8686C1EED3D821FAA6D
IBM Patents WO2009139913A1 EP0977844B1 US20030050226 WO2008031048A2 WO2007146120A2 US20100216971 US20050106264 WO1999001114A1 EP0786934B1 US20100197657 WO2009000085A1 WO2008096111A1 US20010034349 US7410968 US20100144661 WO2007038559A2 US20100267746 US20080076782 US20090233984 US20090035289 WO2009105614A2 US7247637 US6514516 EP1644738A2 US5622867 WO2005070122A2 US20010038825 US5902567 US20080057041 US20080177072 US20100144833 EP1663235A1 US20030199456 US20100150898 US7192959 EP1210421A1 US20030216661 EP1766062A2 WO2000008149A2 US20040198749 US20100168205 US20050113388 EP2229459A1 US20050004098 US6451288 US4894376 WO2006005975A2 WO2010071583A1 EP2258183A1 US6107499 EP1786427A2 US20090324724 WO2006023573A2 US20060127375 WO2000045165A1 EP0841900A1 WO2010042033A1 US20040204425 WO2009067462A1 WO2008103462A2 US20050048030 US20090227594 US20070213827 WO2006022935A1 US6903105 EP1951737A2 EP1670475A2 EP0880695A1 US20100144606 US20100216843 US5260091 US20040161481 US20090054527 WO2009042092A1 US6469055 WO2008033466A2 US20090240043 WO2008064340A2 US20080242680 US20090253714 WO2005076886A2 US20100240132 EP1196396A1 WO2007146869A1 EP1656022A2 US20080090841 US7030117 EP1786426A1 WO2000023023A1 US5919614 US7368447 US5942241 US20080108148 WO2010004319A1 WO2002046163A2 US20050080122 US20040152997 EP1102844A2 US7192960 US20060063780
KEGG Ligand C13751
LINCS LSM-3945
Nikkaji J346.598E
PubChem 108107
PubChem: Thomson Pharma 15248269
SureChEMBL SCHEMBL412783
ZINC ZINC13548421

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KXDROGADUISDGY-UHFFFAOYSA-N spacer
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