Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL322169

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCc1cccc2nc(-c3ccccc3)cc(OC)c12

Basic Information

ChEMBL ID CHEMBL322169
Phase Preclinical
Structure Type MOL
InChI Key KDJFRTZMMWCXSS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
4.47
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO
MW 263.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 7.1 7.1 80.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 80.0 nM 7.1 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