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Compound Detail

CHEMBL5748471

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CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C4CC4)ccc3F)c(F)c2)ccn1

Basic Information

ChEMBL ID CHEMBL5748471
Phase Preclinical
Structure Type MOL
InChI Key KRBKWUWVIFMKGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
5.63
ALogP
4
HBA
3
HBD
92.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F2N4O3
MW 438.43
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.21 7.21 62.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine