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Compound Detail

CHEMBL4740238

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C=CCOn1c(-c2cccc(C#N)c2)nc(C)c1C(=O)OCC

Basic Information

ChEMBL ID CHEMBL4740238
Phase Preclinical
Structure Type MOL
InChI Key DBBBOLKPDJCAJT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
2.52
ALogP
6
HBA
0
HBD
77.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O3
MW 311.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasma
CHEMBL613450
IC50 5.23 5.23 5856.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasma IC50 = 5856.0 nM 5.23 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