Compound Detail
CHEMBL476752
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CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(-c3ccc(C(=O)Nc4cccc(C#N)c4)cc3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL476752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKNTWAZKCXRNTF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
6.00
ALogP
4
HBA
3
HBD
111.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 79.0 | nM | 7.1 | Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{... | 18602262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine