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

CHEMBL313245

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
CC(C)(C)c1cc(-c2cn3ncc(=O)nc3s2)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313245
Phase Preclinical
Structure Type MOL
InChI Key LFPZRJGMGGLCKX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
4.12
ALogP
6
HBA
1
HBD
67.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O2S
MW 357.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclooxygenase
CHEMBL2094253
 IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclooxygenase IC50 = 25000.0 nM 4.6 The compound was tested for inhibitory activity against Prostaglandin G/H syntha... 1635053

Literature References

PubMed DOI Target Context # Activities
1635053 10.1021/jm00092a001 Cyclooxygenase 1

Data from ChEMBL 36 via Core Engine