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Compound Detail

CHEMBL1093742

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CCCCCCCCCC(O)CCCCCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093742
Phase Preclinical
Structure Type MOL
InChI Key RKHXDCVAPIMDMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.5
MW (Da)
5.30
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H36O3
MW 300.48
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.78

Literature References

PubMed DOI Target Context # Activities
20176483 10.1016/j.bmcl.2010.01.165 Unchecked 1
33881857 10.1021/acs.jmedchem.0c02058 A549 1

Data from ChEMBL 36 via Core Engine