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Compound Detail

CHEMBL58910

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O=C(O)[C@@H](O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58910
Phase Preclinical
Structure Type MOL
InChI Key IWYDHOAUDWTVEP-ZETCQYMHSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
0.80
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.66
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 C8H8O3
MW 152.15
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.37

Activity Summary

Ki 3 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80523-5 Unchecked 4
11459664 10.1016/s0960-894x(01)00325-0 Tyrosine-protein phosphatase non-receptor type 1 1
12781191 10.1016/s0960-894x(03)00311-1 Mandelate racemase 1

Data from ChEMBL 36 via Core Engine