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Compound Detail

CHEMBL1773424

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CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc([S@+](C)[O-])n2C)ccn1

Basic Information

ChEMBL ID CHEMBL1773424
Phase Preclinical
Structure Type MOL
InChI Key DRMJRHUMYBYDIX-SANMLTNESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.98
ALogP
5
HBA
1
HBD
82.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN4O2S
MW 372.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.9 5.9 1265.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21449619 10.1021/jm101623p Mitogen-activated protein kinase 14 3
28613871 10.1021/acs.jmedchem.6b01647 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine