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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1876467
CHEMBL1876467
Compound Name DICROTOPHOS
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H16NO5P

Additional synonyms for CHEMBL1876467 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COP(=O)(OC)O\C(=C\C(=O)N(C)C)\C
Standard InChI InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H, ...
Download InChI
Standard InChI Key VEENJGZXVHKXNB-VOTSOKGWSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1876467

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
237.2 237.0766 1.4 5 65.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.3 -.3 0 15 0.41

Structural Alerts

There are 7 structural alerts for CHEMBL1876467. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B16 - DICROTOPHOS
ChemSpider ChemSpider:VEENJGZXVHKXNB-VOTSOKGWSA-N
PubChem SID: 144211395 SID: 26757238

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1876467



ACToR 141-66-2
Brenda 16665
ChEBI 38658
eMolecules 509477
EPA CompTox Dashboard DTXSID9023914
FDA SRS B541I65WBL
KEGG Ligand C18656
Nikkaji J3.269G
PubChem 5371560
PubChem: Thomson Pharma 15196336
SureChEMBL SCHEMBL26457
ZINC ZINC000013827844

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