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Compound Detail

CHEMBL3884745

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CC(C)=CCCC(C)[C@H]1CC=C(C)C(O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884745
Phase Preclinical
Structure Type MOL
InChI Key SDAWXTDBEYZMMX-CPWXKJDLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

238.4
MW (Da)
3.06
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H26O2
MW 238.37
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.19

Literature References

PubMed DOI Target Context # Activities
28065501 10.1016/j.bmc.2016.12.048 NON-PROTEIN TARGET 3
28065501 10.1016/j.bmc.2016.12.048 Leukotriene A-4 hydrolase 2
28065501 10.1016/j.bmc.2016.12.048 HCT-116 1

Data from ChEMBL 36 via Core Engine