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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL399318
CHEMBL399318
Compound Name CHLORANTRANILIPROLE
ChEMBL Synonyms Chlorantraniliprole
Max Phase 0
Trade Names
Molecular Formula C18H14BrCl2N5O2

Additional synonyms for CHEMBL399318 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c2cc(Br)nn2c3ncccc3Cl
Standard InChI InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)2 ...
Download InChI
Standard InChI Key PSOVNZZNOMJUBI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL399318

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
483.2 480.9708 4.53 4 88.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.19 - 3.64 3.64 3 28 0.57

Structural Alerts

There are 2 structural alerts for CHEMBL399318. To view alerts please click here.

Compound Cross References

IRAC B - NERVE AND MUSCLE ACTION
B28 - RYANODINE RECEPTOR MODULATORS
B2828A - DIAMIDES
B2828A1 - CHLORANTRANILIPROLE
ChemSpider ChemSpider:PSOVNZZNOMJUBI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL399318



ACToR 500008-45-7
BindingDB 50222771
ChEBI 67113
eMolecules 30069764
EPA CompTox Dashboard DTXSID2044345
FDA SRS 622AK9DH9G
IBM Patent System 83D327768996526709C3987E26BC7A1E
KEGG Ligand C18454
MolPort MolPort-039-142-128
Nikkaji J2.406.119A
PubChem 11271640
PubChem: Thomson Pharma 16357825
SureChEMBL SCHEMBL29551
ZINC ZINC000028956875

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