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Compound Detail

CHEMBL1162480

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

Basic Information

ChEMBL ID CHEMBL1162480
Phase Preclinical
Structure Type MOL
InChI Key NGEWQZIDQIYUNV-BYPYZUCNSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

118.1
MW (Da)
0.09
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.54
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 C5H10O3
MW 118.13
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 0.71

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
17553798 10.1074/jbc.m703467200 Unchecked 1
17553798 10.1074/jbc.m703467200 Solute carrier family 22 member 6 1
17553798 10.1074/jbc.m703467200 Solute carrier family 22 member 20 1
35450365 10.1021/acsmedchemlett.1c00721 SW480 1
35450365 10.1021/acsmedchemlett.1c00721 HCT-116 1
35450365 10.1021/acsmedchemlett.1c00721 CCD-841CoN 1

Data from ChEMBL 36 via Core Engine