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Compound Detail

CHEMBL292411

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

Basic Information

ChEMBL ID CHEMBL292411
Phase Preclinical
Structure Type MOL
InChI Key IWYDHOAUDWTVEP-SSDOTTSWSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
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 2 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
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
17055725 10.1016/j.bmcl.2006.09.079 Mandelate racemase 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine