ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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 3.05 7 82.67 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 0.62

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
ChEBI 38680
eMolecules 509832
Human Metabolome Database HMDB31787
IBM Patent System 134C33FD7B666BD1DB06958088AB48BC
IBM Patents EP1399421A1 EP1941796A2 US20100168066 US6642234 EP0721735B1 US20100093531 US4268506 WO2003095418A1 US6900176 WO2006119400A3 EP1767090A1 EP1976385A2 EP0877741B1 US20050014650 US5189060 WO2005092092A1 US20100317522 US7119049 WO2009126672A2 WO2000008026A2 EP2213168A1 US5847005 EP1656382A2 US20050118280 US6187944 US20100056598 US6716881 US6716832 WO2001054505A1 US4714790 EP1200418A1 US20080293824 US20080194498 US20040006047 EP2219456A1 US20100216849 EP2080758A2 US7604815 EP0804426A2 WO2001090105A1 US20070203148 EP0800343A1 EP0901478A1 EP1230239A1 US20070032539 US20060166824 EP0707576A1 US6432997 EP2229057A1 US20090156592 US20050150764 EP1383751B1 US20040167334 WO2006074261A2 EP0533868A1 US5166179 WO2006087120A2 WO2003097605A1 EP0511845B1 WO2010084067A2 WO2010100189A1 US7674936 WO2005061500A1 US20040242662 WO1996020596A1 EP1474407A1 WO2008037374A2 EP1961746A1 WO2004113342A1 EP0031574A1 EP0780378B1 WO1999031108A1 US20050143428 EP0317259A2 EP1678143A2 EP1248521B1 EP0361695A2 US7179806 EP2190823A1 US7074742 US5684011 US20030129081 US4783451 EP2035399A1 WO2006045751A1 EP1363917A1 US5214064 WO2008037377A2 US5256670 WO2008150393A1 US5017606 EP1678142A1 EP1416792A1 WO2001045511A1 EP1432680B1 US20070044911 US20090118295 WO2000011951A2 US5162327 WO2006119400A2
KEGG Ligand C18659
MolPort MolPort-003-933-400
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
spacer