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Compound Detail

CHEMBL1773508

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CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)C(C)C)c2)[nH]1

Basic Information

ChEMBL ID CHEMBL1773508
Phase Preclinical
Structure Type MOL
InChI Key ZUDZFZSAHJQBSP-ZDUSSCGKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
5.46
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN4S
MW 370.50
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.58 7.44 26.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21449619 10.1021/jm101623p Mitogen-activated protein kinase 14 4

Data from ChEMBL 36 via Core Engine