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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1895474
CHEMBL1895474
Compound Name ETHEPHON
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H6ClO3P

Additional synonyms for CHEMBL1895474 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)(O)CCCl
Standard InChI InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
Standard InChI Key UDPGUMQDCGORJQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1895474

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
144.5 143.9743 0.4 2 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.88 - -.36 -4.07 0 7 0.44

Structural Alerts

There are 11 structural alerts for CHEMBL1895474. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UDPGUMQDCGORJQ-UHFFFAOYSA-N
PubChem SID: 144209316 SID: 144211451 SID: 26757107 SID: 26757108

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1895474



ACToR 16672-87-0 11672-87-0
Brenda 29374
ChEBI 52741
ChemicalBook CB5210031
eMolecules 509800
EPA CompTox Dashboard DTXSID7024085
FDA SRS XU5R5VQ87S
IBM Patent System DA60C134FD16BC721A200DB5232ED0EA
KEGG Ligand C18399
Mcule MCULE-4131416773
MolPort MolPort-001-759-599
Nikkaji J1.864C
PubChem 27982
PubChem: Thomson Pharma 14842988
SureChEMBL SCHEMBL37574
ZINC ZINC000003957753

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