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Compound Detail

CHEMBL316657

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CCOC(=O)CCCOc1cc(-c2ccccc2)nc2cccc(CC)c12

Basic Information

ChEMBL ID CHEMBL316657
Phase Preclinical
Structure Type MOL
InChI Key CCKJOHLUHHLCMA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
5.19
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO3
MW 363.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 5.81 5.81 1540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 1540.0 nM 5.81 In vitro inhibitory activity on platelet aggregation induced by arachidonic acid... 11212091

Literature References

PubMed DOI Target Context # Activities
11212091 10.1016/s0960-894x(00)00652-1 Homo sapiens 1

Data from ChEMBL 36 via Core Engine