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

CHEMBL330375

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
CCNC(=O)COC1CC(c2ccccc2)=Nc2cccc(CC)c21

Basic Information

ChEMBL ID CHEMBL330375
Phase Preclinical
Structure Type MOL
InChI Key FAQVSTCNASPAKL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.97
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O2
MW 336.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 600.0 nM 6.22 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