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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL91732
CHEMBL91732
Compound Name ALDICARB
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H14N2O2S

Additional synonyms for CHEMBL91732 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)O\N=C\C(C)(C)SC
Standard InChI InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H ...
Download InChI
Standard InChI Key QGLZXHRNAYXIBU-WEVVVXLNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL91732

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
190.3 190.0776 1.47 3 50.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.81 - .92 .92 0 12 0.42

Structural Alerts

There are 9 structural alerts for CHEMBL91732. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11A - CARBAMATES
A11A2 - ALDICARB
ChemSpider ChemSpider:QGLZXHRNAYXIBU-WEVVVXLNSA-N
PubChem SID: 17390059 SID: 26752808 SID: 26752809
Wikipedia Aldicarb

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL91732



ACToR 116-06-3
BindingDB 50064478
eMolecules 498503
KEGG Ligand C11015
LINCS LSM-45096
MolPort MolPort-003-665-456
Nikkaji J2.901G
NMRShiftDB 20207948
PubChem 9570071
PubChem: Thomson Pharma 15195326
SureChEMBL SCHEMBL9781
ZINC ZINC000001532114

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