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Compound Detail

CHEMBL146554

2-Oxoisovalerate
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CC(C)C(=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL146554
Name 2-Oxoisovalerate
Phase Preclinical
Structure Type MOL
InChI Key QHKABHOOEWYVLI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

116.1
MW (Da)
0.30
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H8O3
MW 116.12
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 0.62

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80261-4 Catharanthus roseus 2
10417314 10.1042/0264-6021:3410529 Monocarboxylate transporter 2 1
9639576 10.1042/bj3330167 Monocarboxylate transporter 1 1
11101640 10.1111/j.1469-7793.2000.00285.x Monocarboxylate transporter 4 1

Data from ChEMBL 36 via Core Engine