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Compound Detail

CHEMBL1162497

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C[C@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1162497
Phase Preclinical
Structure Type MOL
InChI Key WHBMMWSBFZVSSR-VKHMYHEASA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

104.1
MW (Da)
-0.16
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.51
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 C4H8O3
MW 104.10
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 1.18

Activity Summary

Ki 4 meas.

Literature References

PubMed DOI Target Context # Activities
21571536 10.1016/j.bmc.2011.04.045 Solute carrier family 22 member 6 2
17553798 10.1074/jbc.m703467200 Solute carrier family 22 member 20 1
17553798 10.1074/jbc.m703467200 Solute carrier family 22 member 6 1
17553798 10.1074/jbc.m703467200 Unchecked 1
11101640 10.1111/j.1469-7793.2000.00285.x Monocarboxylate transporter 4 1

Data from ChEMBL 36 via Core Engine