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

CHEMBL93842

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
CCc1cccc2c1C(=O)CC(c1ccccc1)N2C

Basic Information

ChEMBL ID CHEMBL93842
Phase Preclinical
Structure Type MOL
InChI Key KQXOPOSUEKWATA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
4.01
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO
MW 265.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.09

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 4.52 4.52 30040.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 30040.0 nM 4.52 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