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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1076495
CHEMBL1076495
Compound Name METHIOCARB
ChEMBL Synonyms Methiocarb
Max Phase 0
Trade Names
Molecular Formula C11H15NO2S

Additional synonyms for CHEMBL1076495 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)Oc1cc(C)c(SC)c(C)c1
Standard InChI InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h ...
Download InChI
Standard InChI Key YFBPRJGDJKVWAH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1076495

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
225.3 225.0823 3.11 3 63.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.17 - 3.09 3.09 1 15 0.8

Structural Alerts

There are 2 structural alerts for CHEMBL1076495. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11A - CARBAMATES
A11A15 - METHIOCARB
ChemSpider ChemSpider:YFBPRJGDJKVWAH-UHFFFAOYSA-N
PubChem SID: 251919710 SID: 26757310
Wikipedia Methiocarb

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1076495



ACToR 2032-65-7
Brenda 14081
ChEBI 38508
eMolecules 31216746
EPA CompTox Dashboard DTXSID3032626
FDA SRS JI9431OS31
IBM Patent System FB7E8E0B0B9DDBFE70D5A786131ECDC1
KEGG Ligand C18651
Nikkaji J7.851D
PubChem 16248
PubChem: Thomson Pharma 14798045
SureChEMBL SCHEMBL24740
ZINC ZINC000002038975

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