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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70971
CHEMBL70971
Compound Name CARBENDAZIM
ChEMBL Synonyms Bavistin | Carbendazim
Max Phase 0
Trade Names
Molecular Formula C9H9N3O2

Additional synonyms for CHEMBL70971 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)Nc1nc2ccccc2[nH]1
Standard InChI InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5 ...
Download InChI
Standard InChI Key TWFZGCMQGLPBSX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL70971

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
191.2 191.0695 1.74 1 67.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.62 5.66 1.52 1.5 2 14 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL70971. To view alerts please click here.

Compound Cross References

FRAC B - MITOSIS AND CELL DIVISION
B1 - BETA-TUBULINE ASSEMBLY IN MITOSIS
B11 - MBC - FUNGICIDES (METHYL BENZIMIDAZOLE CARBAMATES)
B11A - BENZIMIDAZOLES
B11A2 - CARBENDAZIM
ChemSpider ChemSpider:TWFZGCMQGLPBSX-UHFFFAOYSA-N
PubChem SID: 144209493 SID: 144210796 SID: 17389123 SID: 26752754 SID: 408937 SID: 92763967
Wikipedia Carbendazim

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL70971



ACToR 37953-07-4 102040-01-7
BindingDB 50116313
ChEBI 3392
ChemicalBook CB5416930 CB82492371
DrugBank DB13009
eMolecules 502836
EPA CompTox Dashboard DTXSID4024729
FDA SRS H75J14AA89
Human Metabolome Database HMDB0031769
IBM Patent System 8543E1D6BAB1AF3397FFD461A5AB376B
KEGG Ligand C10897
Mcule MCULE-6012353785
Metabolights MTBLC3392
MolPort MolPort-000-639-655
Nikkaji J3.120H
PubChem 25429
PubChem: Thomson Pharma 15219846
SureChEMBL SCHEMBL21051 SCHEMBL19926051
ZINC ZINC000000043475

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