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Compound Detail

CHEMBL186602

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CCCC(CCC)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186602
Phase Preclinical
Structure Type MOL
InChI Key WPRYUWYMOZQHIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

158.2
MW (Da)
2.38
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18O2
MW 158.24
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
33848153 10.1021/acs.jmedchem.1c00124 Unchecked 2
15482904 10.1016/j.bmcl.2004.09.013 Glycogen synthase kinase-3 alpha 1
15482904 10.1016/j.bmcl.2004.09.013 Unchecked 1

Data from ChEMBL 36 via Core Engine