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Compound Detail

CHEMBL184615

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O=C1CCCCCC/C=C2\CC(CO)(CO1)OC2=O

Basic Information

ChEMBL ID CHEMBL184615
Phase Preclinical
Structure Type MOL
InChI Key LRBLPOHNENLSJY-IZZDOVSWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
1.49
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20O5
MW 268.31
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 1.46

Activity Summary

Ki 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 1800.0 nM 5.75 Displacement of [20-3H]-phorbol 12,13-dibutyrate (PDBU) from recombinant Protein... 15267238

Literature References

PubMed DOI Target Context # Activities
15267238 10.1021/jm0497747 No relevant target 1
15267238 10.1021/jm0497747 Unchecked 1

Data from ChEMBL 36 via Core Engine