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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL222440
CHEMBL222440
Compound Name ACIFLUORFEN
ChEMBL Synonyms Acifluorfen
Max Phase 0
Trade Names
Molecular Formula C14H7ClF3NO5

Additional synonyms for CHEMBL222440 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
Standard InChI InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8- ...
Download InChI
Standard InChI Key NUFNQYOELLVIPL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL222440

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
361.7 360.9965 4.76 4 89.67 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.93 - 3.77 .63 2 24 0.63

Structural Alerts

There are 5 structural alerts for CHEMBL222440. To view alerts please click here.

Compound Cross References

HRAC E - INHIBITION OF PROTOPORPHYRINOGEN OXIDASE (PPO)
E1 - DIPHENYLETHER
E11 - ACIFLUORFEN-NA
ChemSpider ChemSpider:NUFNQYOELLVIPL-UHFFFAOYSA-N
PubChem SID: 144209037 SID: 144211077 SID: 26757299 SID: 29216446 SID: 47193733
Wikipedia Acifluorfen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL222440



ACToR 50594-66-6
BindingDB 50359942
Brenda 123007 2168
ChEBI 73172
DrugBank DB07338
eMolecules 499736
EPA CompTox Dashboard DTXSID0020022
FDA SRS OI60IB203A
Human Metabolome Database HMDB0037112
IBM Patent System F8288DF0235208DE6C87884523ED412A
MolPort MolPort-003-930-624
PDBe ACJ
PubChem 44073
PubChem: Thomson Pharma 14828337
SureChEMBL SCHEMBL38929
ZINC ZINC000002032367

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