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Compound Detail

CHEMBL5851332

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CCCCNc1nc2ccc(-c3cc(C(=O)NC4CC4)cc(F)c3C)cc2s1

Basic Information

ChEMBL ID CHEMBL5851332
Phase Preclinical
Structure Type MOL
InChI Key YIPITJCKGGXYGJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
5.52
ALogP
4
HBA
2
HBD
54.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
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 -1.82

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

Data from ChEMBL 36 via Core Engine