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Compound Detail

CHEMBL4776370

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O=C1C=CC2(CCCC2)c2c(O)c3c(c(O)c21)CC=CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4776370
Phase Preclinical
Structure Type MOL
InChI Key MAEFPABWGCKRGH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
3.32
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.57
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 C18H18O3
MW 282.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.59

Activity Summary

IC50 1 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.59 4.59 25510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 25510.0 nM 4.59 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