ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70971
CHEMBL70971
Compound Name CARBENDAZIM
ChEMBL Synonyms Carbendazim | Bavistin
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 1.65 2 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 0.76

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
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
spacer