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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279115
CHEMBL279115
Compound Name PHORBOL MYRISTATE ACETATE
ChEMBL Synonyms Phorbol Myristate Acetate
Max Phase 0
Trade Names
Molecular Formula C36H56O8

Additional synonyms for CHEMBL279115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[ ...
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Standard InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39) ...
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Standard InChI Key PHEDXBVPIONUQT-RGYGYFBISA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279115

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
616.8 616.3975 5.92 17 130.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 2 8 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.19 - 8.53 8.53 0 44 0.1

Structural Alerts

There are 14 structural alerts for CHEMBL279115. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PHEDXBVPIONUQT-RGYGYFBISA-N
PubChem SID: 26755285
Wikipedia 12-O-Tetradecanoylphorbol-13-acetate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279115



ACToR 11016-13-0
Atlas phorbol 12-myristate 13-acetate
Brenda 35022 129577 3962 156338 139460 156289 147641 139409 129901 81575 139463 1418 4127 129727 135812 8725 16163 18528 8264 51139 61098
ChEBI 37537
eMolecules 530483 31267389
EPA CompTox Dashboard DTXSID5023798
FDA SRS NI40JAQ945
Guide to Pharmacology 2341
IBM Patent System FD32391C78DE556E6CE71B6FCDE8200C
KEGG Ligand C05151
LINCS LSM-25630
LipidMaps LMPR0104330002
Nikkaji J4.078I
PubChem 27924
PubChem: Thomson Pharma 14838769 14789656
SureChEMBL SCHEMBL115567
ZINC ZINC000008214783

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