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Compound Detail

CHEMBL228356

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CCCCCCC1=C(CCC(=O)O)C(=O)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228356
Phase Preclinical
Structure Type MOL
InChI Key VTHDBKWCMXGCAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.20
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18O5
MW 254.28
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.15

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