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Compound Detail

CHEMBL420352

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CS(=O)(=O)CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420352
Phase Preclinical
Structure Type MOL
InChI Key JUSVEWRLNMHNJO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.19
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.68
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 C18H18FN3O2S
MW 359.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAP kinase p38
CHEMBL2094115
 IC50 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAP kinase p38 IC50 = 510.0 nM 6.29 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

Data from ChEMBL 36 via Core Engine