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Compound Detail

CHEMBL375036

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CCCCCCCCCC1=C(CCC(=O)O)C(=O)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375036
Phase Preclinical
Structure Type MOL
InChI Key ZIFGGKAWZJCJSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.37
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24O5
MW 296.36
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.99

Literature References

PubMed DOI Target Context # Activities
17084000 10.1016/j.ejmech.2006.09.014 M-phase inducer phosphatase 1 1
17084000 10.1016/j.ejmech.2006.09.014 M-phase inducer phosphatase 2 1
17084000 10.1016/j.ejmech.2006.09.014 M-phase inducer phosphatase 3 1
17084000 10.1016/j.ejmech.2006.09.014 Unchecked 1

Data from ChEMBL 36 via Core Engine