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Compound Detail

CHEMBL4453392

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Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453392
Phase Preclinical
Structure Type MOL
InChI Key BGAVCFRCTFIKML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.9
MW (Da)
5.78
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClN4O
MW 382.89
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.03

Activity Summary

Ki 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL2336
 Ki 6.14 6.14 730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 Ki = 730.0 nM 6.14 Inhibition of kinase tracer 199 binding to mouse inactive p38alpha (2 to 349 res... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00262E Mitogen-activated protein kinase 14 3

Data from ChEMBL 36 via Core Engine