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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

Structural Alerts

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

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

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
BindinDB 50116313
ChEBI 3392
eMolecules 502836
FDA SRS H75J14AA89
Human Metabolome Database HMDB31769
IBM Patent System 8543E1D6BAB1AF3397FFD461A5AB376B
IBM Patents US4060624 US20030032811 US20060100203 EP0749419B1 US20080255208 US20080097099 US6331531 US20090131462 EP1429607B1 US6503912 EP2193716A1 EP1874115A1 WO1999015002A1 EP0891330A1 EP1697364A1 WO2008037789A1 WO2003016284A1 US6911416 EP1735316A2 EP2255653A2 EP0966467A1 US20070191396 WO2009080266A1 US6187944 EP1817309A1 WO2002012882A2 WO2000051427A1 WO2002049436A1 US7186862 EP0381330A1 US6620812 US4394386 EP1054883B1 WO1997043252A1 EP2210490A2 EP1850662A2 WO2006056333A1 WO2005060752A1 US7345009 US7332509 EP1819223A1 US20090215624 US5958922 EP2186804A1 EP1673350A2 EP1001949A1 EP1095014B1 WO1998045289A1 US20040142977 US20080176842 EP0934302A2 WO2003028451A2 EP0862856B1 US6486343 EP0117024A2 EP0178826B2 EP1431299A1 US20080274882 EP1562950A1 EP1885712A1 US5968970 EP2240027A2 US20080108680 US7288554 EP0943241A1 EP1773806A1 WO2007012598A1 US20050080272 WO2009071419A1 EP1531667A1 WO2008085682A2 WO2007031513A1 EP0794945A1 EP2049528A2 US20030083311 US7105664 EP0097425A2 WO2006084615A1 WO2002070483A1 EP1049683B1 US20080287506 WO2007003319A2 US20100056461 US20100174084 US7622641 EP1221845B1 US20020022575 US20090099319 WO2003046038A1 WO2008037377A2 WO2008009360A2 WO1994003061A1 EP1670311A1 EP1404666B1 EP1319337A1 EP0975587A1 US20090011935 US5346902 WO1996022020A1 EP0100615A1
KEGG Ligand C10897
Mcule MCULE-6012353785
MolPort MolPort-000-639-655
Nikkaji J3.120H
PubChem 25429
PubChem: Thomson Pharma 15219846
SureChEMBL SCHEMBL21051
ZINC ZINC00043475

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