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Compound Detail

CHEMBL182310

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C#CCCCCCCCCCCCCCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL182310
Phase Preclinical
Structure Type MOL
InChI Key DZIILFGADWDKMF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
5.56
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H32O2
MW 280.45
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
15454216 10.1016/j.bmcl.2004.08.025 Unchecked 1
22932312 10.1016/j.bmcl.2012.08.019 Cytochrome P450 4F2 1

Data from ChEMBL 36 via Core Engine