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Compound Detail

CHEMBL64820

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CC(C)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Cl)c2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64820
Phase Preclinical
Structure Type MOL
InChI Key RNYRORIDPDCMRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
7.24
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.44
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 C23H26Cl2N4O
MW 445.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 110.0 nM 6.96 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 1
10999468 10.1016/s0960-894x(00)00272-9 SW1353 1

Data from ChEMBL 36 via Core Engine