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Compound Detail

CHEMBL168189

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O=C1CCCC(=O)C1C(=O)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168189
Phase Preclinical
Structure Type MOL
InChI Key VFBHSHFLKVLYLV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
2.07
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18O3
MW 222.28
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10853644 10.1016/s0960-894x(00)00115-3 4-hydroxyphenylpyruvate dioxygenase 1

Data from ChEMBL 36 via Core Engine