Compound Detail
CHEMBL566100
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CCC(=O)Nc1ccc2nccc(Nc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c3)c2c1
Basic Information
| ChEMBL ID | CHEMBL566100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOYDIAJXEFJPNS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
561.7
MW (Da)
7.76
ALogP
6
HBA
4
HBD
113.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.85 | 6.725 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells... | 19928858 |
| Mitogen-activated protein kinase 14 | IC50 | = | 250.0 | nM | 6.6 | Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl)... | 19928858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19928858 | 10.1021/jm901297e | Mitogen-activated protein kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine