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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1865925
CHEMBL1865925
Compound Name TRICLOPYR
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H4Cl3NO3

Additional synonyms for CHEMBL1865925 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)COc1nc(Cl)c(Cl)cc1Cl
Standard InChI InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H, ...
Download InChI
Standard InChI Key REEQLXCGVXDJSQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1865925

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
256.5 254.9257 2.51 3 59.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.26 - 2.35 -1.38 1 14 0.84

Structural Alerts

There are 5 structural alerts for CHEMBL1865925. To view alerts please click here.

Compound Cross References

HRAC O - ACTION LIKE INDOLE ACETIC ACID (SYNTHETIC AUXINS)
O3 - PYRIDINE CARBOXYLIC ACID
O34 - TRICLOPYR
ChemSpider ChemSpider:REEQLXCGVXDJSQ-UHFFFAOYSA-N
PubChem SID: 144214034 SID: 26757343 SID: 29216451

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1865925



ACToR 55335-06-3
ChEBI 9682
eMolecules 501772
EPA CompTox Dashboard DTXSID0032497
FDA SRS MV06PHJ6I0
IBM Patent System 9E622E1BAE80DF628AE6851B40A916E0
KEGG Ligand C11032
MolPort MolPort-003-959-415
Nikkaji J1.901A
PDBe SBK
PubChem 41428
PubChem: Thomson Pharma 15196918
SureChEMBL SCHEMBL37162
ZINC ZINC000000900723

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