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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1313005
CHEMBL1313005
Compound Name PHENAMIPHOS
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H22NO3PS

Additional synonyms for CHEMBL1313005 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1
Standard InChI InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19 ...
Download InChI
Standard InChI Key ZCJPOPBZHLUFHF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1313005

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
303.4 303.1058 4.24 7 47.56 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
- - 3.18 3.18 1 19 0.6

Structural Alerts

There are 6 structural alerts for CHEMBL1313005. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZCJPOPBZHLUFHF-UHFFFAOYSA-N
PubChem SID: 144214042 SID: 17388788 SID: 26753116 SID: 85147165

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1313005



ACToR 22224-92-6
Brenda 23736
ChEBI 38680
eMolecules 509832
EPA CompTox Dashboard DTXSID3024102
Human Metabolome Database HMDB0031787
IBM Patent System 134C33FD7B666BD1DB06958088AB48BC
KEGG Ligand C18659
Nikkaji J11.420K
PubChem 31070
PubChem: Thomson Pharma 14800605
SureChEMBL SCHEMBL76010

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