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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL212579
CHEMBL212579
Compound Name BENZAMIL
ChEMBL Synonyms GNF-Pf-192 | Benzamil | Benzamil Hydrochloride
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

Sources

  • Novartis Malaria Screening
  • PubChem BioAssays
  • Scientific Literature

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

Structural Alerts

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

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
BindingDB 81819
Brenda 5707
ChEBI 34558
EPA CompTox Dashboard DTXSID90183179
FDA SRS 04659UUJ94
Guide to Pharmacology 4145
IBM Patent System 316E0DED6A52B8686C1EED3D821FAA6D
KEGG Ligand C13751
LINCS LSM-3945
Nikkaji J346.598E
PubChem 108107
PubChem: Thomson Pharma 15248269
SureChEMBL SCHEMBL412783
ZINC ZINC000013548421

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