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Compound Detail

CHEMBL4786818

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Cc1c(C)c(O)c2c(c1O)C(=O)C=CC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4786818
Phase Preclinical
Structure Type MOL
InChI Key WPDXQHUKHQBBPH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.74
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16O3
MW 232.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.87

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.92 4.92 11970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 11970.0 nM 4.92 Inhibition of collagen-induced platelet aggregation in human platelet preincubat... 32155530

Literature References

PubMed DOI Target Context # Activities
32155530 10.1016/j.ejmech.2020.112187 Unchecked 3
32155530 10.1016/j.ejmech.2020.112187 Platelet 1

Data from ChEMBL 36 via Core Engine