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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL226650
CHEMBL226650
Compound Name FENOBUCARB
ChEMBL Synonyms 2-Sec-Butylphenyl Methylcarbamate
Max Phase 0
Trade Names
Molecular Formula C12H17NO2

Additional synonyms for CHEMBL226650 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)c1ccccc1OC(=O)NC
Standard InChI InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h ...
Download InChI
Standard InChI Key DIRFUJHNVNOBMY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL226650

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
207.3 207.1259 3.24 4 38.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.24 - 2.82 2.82 1 15 0.82

Structural Alerts

There are 2 structural alerts for CHEMBL226650. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11A - CARBAMATES
A11A11 - FENOBUCARB
ChemSpider ChemSpider:DIRFUJHNVNOBMY-UHFFFAOYSA-N
Wikipedia Fenobucarb

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL226650



ACToR 12773-35-2 3766-81-2
Brenda 18395
ChEBI 34304
eMolecules 502041
EPA CompTox Dashboard DTXSID4058077
IBM Patent System 19EBAB0F11039645949F25E796A4EE93
KEGG Ligand C14425
MolPort MolPort-003-931-168
Nikkaji J3.059G
NMRShiftDB 20209687
PubChem 19588
PubChem: Thomson Pharma 15266453
SureChEMBL SCHEMBL73674

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