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Compound Detail

CHEMBL62927

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CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(CCO)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62927
Phase Preclinical
Structure Type MOL
InChI Key TYJWICLQOOJZIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
4.12
ALogP
4
HBA
3
HBD
79.2
PSA (Ų)
0.76
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 C16H20Cl2N4O2
MW 371.27
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.19

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 130.0 nM 6.89 Inhibition of mitogen-activated protein kinase p38 alpha 2 10999468

Literature References

PubMed DOI Target Context # Activities
10999468 10.1016/s0960-894x(00)00272-9 Mitogen-activated protein kinase 14 2
10999468 10.1016/s0960-894x(00)00272-9 SW1353 1

Data from ChEMBL 36 via Core Engine