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Compound Detail

CHEMBL5790944

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

Basic Information

ChEMBL ID CHEMBL5790944
Phase Preclinical
Structure Type MOL
InChI Key QWLQGDDKNWXDBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
6.19
ALogP
4
HBA
3
HBD
89.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClFN4O2
MW 428.90
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.02 7.02 95.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 95.0 nM 7.02 MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... -

Data from ChEMBL 36 via Core Engine