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Compound Detail

CHEMBL173857

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Cc1cccc(-c2nc(-c3cccs3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173857
Phase Preclinical
Structure Type MOL
InChI Key VOVNKKJXIDOHLE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.97
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4OS
MW 400.51
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 140.0 nM 6.85 Inhibitory activity against mitogen activated protein (MAP) kinase p38 alpha. 15012994

Literature References

PubMed DOI Target Context # Activities
15012994 10.1016/j.bmcl.2003.12.023 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine