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Compound Detail

CHEMBL6004961

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CC(C)(C)c1ccc(Cl)c(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)CO)c3)cc2F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6004961
Phase Preclinical
Structure Type MOL
InChI Key AKJSBJDDAWAGJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.9
MW (Da)
5.54
ALogP
5
HBA
4
HBD
112.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClFN4O4
MW 486.93
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 40.0 nM 7.4 MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... -

Data from ChEMBL 36 via Core Engine