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Compound Detail

CHEMBL64192

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CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2cccc(C(F)(F)F)c2)n1

Basic Information

ChEMBL ID CHEMBL64192
Phase Preclinical
Structure Type MOL
InChI Key ASLUGIHVFGZDPU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.3
MW (Da)
7.14
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19Cl2F3N4O
MW 471.31
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.26

Activity Summary

IC50 2 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.25 7.25 56.0 1
SW1353
CHEMBL614944
IC50 6.68 6.68 209.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10999468 10.1016/s0960-894x(00)00272-9 Mitogen-activated protein kinase 14 1
10999468 10.1016/s0960-894x(00)00272-9 SW1353 1

Data from ChEMBL 36 via Core Engine