Compound Detail
CHEMBL476552
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Cc1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL476552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZAALKZEEDABCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
4.20
ALogP
5
HBA
2
HBD
77.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | Ki | = | 300.0 | nM | 6.52 | Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{... | 18602262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37871287 | 10.1021/acs.jmedchem.3c01273 | Mycobacterium tuberculosis | 4 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Mitogen-activated protein kinase 14 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine