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Compound Detail

CHEMBL4795315

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CCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccc(C(=O)OC)cc1

Basic Information

ChEMBL ID CHEMBL4795315
Phase Preclinical
Structure Type MOL
InChI Key DAWQQWNZRPOXKX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
3.32
ALogP
8
HBA
0
HBD
103.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O5
MW 419.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasma
CHEMBL613450
IC50 5.02 5.02 9466.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasma IC50 = 9466.0 nM 5.02 Antiplatelet activity in rabbit platelet-rich plasma assessed as inhibition of A... 33307675

Literature References

PubMed DOI Target Context # Activities
33307675 10.1021/acs.jmedchem.0c01524 Plasma 1

Data from ChEMBL 36 via Core Engine