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Compound Detail

CHEMBL6018153

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Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2nc(NCC(C)C)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6018153
Phase Preclinical
Structure Type MOL
InChI Key LVHXQMWHVLEBDO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
5.37
ALogP
4
HBA
2
HBD
54.0
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24FN3OS
MW 397.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 550.0 nM 6.26 Assay of p38 Kinase Activity: Experimental Method: 40 nM p38a was added into a r... -

Data from ChEMBL 36 via Core Engine