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Compound Detail

CHEMBL476665

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CCCCCCCCCC[C@H]1OC(=O)C(=C(C)C)[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL476665
Phase Preclinical
Structure Type MOL
InChI Key SHUNHCUPXPOLCW-GDBMZVCRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30O4
MW 310.43
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.16

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19223187 10.1016/j.bmc.2009.01.050 Fatty acid synthase 1
19223187 10.1016/j.bmc.2009.01.050 ADMET 1

Data from ChEMBL 36 via Core Engine