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

CHEMBL222528

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
CCC#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222528
Phase Preclinical
Structure Type MOL
InChI Key MYKZXTCHBQPKQW-TZYHBYERSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.82
ALogP
4
HBA
0
HBD
81.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O2
MW 358.44
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 1.18

Activity Summary

IC50 2 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 7.7 7.7 20.0 1
RAW
CHEMBL614631
 IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW IC50 = 20.0 nM 7.7 Inhibition of interferon gamma-stimulated NO production in RAW 264.7 cells after... 17367124
RAW264.7 IC50 = 20.0 nM 7.7 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN-... 21361338

Literature References

PubMed DOI Target Context # Activities
17367124 10.1021/jm070141c RAW 1
21361338 10.1021/jm101445p RAW264.7 1

Data from ChEMBL 36 via Core Engine