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

CHEMBL340406

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
Cc1cc(-c2[nH]c(-c3ccc([S+](C)[O-])cc3)nc2-c2cccc(F)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340406
Phase Preclinical
Structure Type MOL
InChI Key JXPKOFIOTMIADL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
4.99
ALogP
3
HBA
1
HBD
64.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN3OS
MW 391.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase p38
CHEMBL2094115
 IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAP kinase p38 IC50 = 370.0 nM 6.43 In vitro inhibitory concentration against radioligand [3H]SB-202190 binding to C... 8831759

Literature References

PubMed DOI Target Context # Activities
8831759 10.1021/jm960415o MAP kinase p38 1
8831759 10.1021/jm960415o Mus musculus 1

Data from ChEMBL 36 via Core Engine