Compound Detail
CHEMBL568874
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Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Nc3ccnc4ccc([N+](=O)[O-])cc34)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL568874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWMPJFRIKZETON-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
7.32
ALogP
7
HBA
3
HBD
127.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.02 | 6.92 | 95.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 95.0 | nM | 7.02 | Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl)... | 19928858 |
| Mitogen-activated protein kinase 14 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells... | 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