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Compound Detail

CHEMBL6017241

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CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2F)n(-c2cccc(F)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6017241
Phase Preclinical
Structure Type MOL
InChI Key MZOAWDBWIIJWJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
6.28
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23F2N5O2
MW 463.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.10

Activity Summary

IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 17.0 nM 7.77 MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... -

Data from ChEMBL 36 via Core Engine