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Compound Detail

CHEMBL62794

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Cc1cc(F)ccc1-c1cc(N(C(N)=O)c2c(Cl)cccc2Cl)ccc1CO

Basic Information

ChEMBL ID CHEMBL62794
Phase Preclinical
Structure Type MOL
InChI Key QUARCUJRRQAKKF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.3
MW (Da)
5.82
ALogP
2
HBA
2
HBD
66.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17Cl2FN2O2
MW 419.28
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10999467 10.1016/s0960-894x(00)00270-5 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine