Compound Detail
CHEMBL567198
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CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL567198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZJDKUMSRQSURZ-UHFFFAOYSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
539.0
MW (Da)
5.90
ALogP
3
HBA
0
HBD
43.9
PSA (Ų)
0.42
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.1
Kd 3 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL3799 | Ki | 8.1 | 8.01 | 8.0 | 2 |
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.98 | 7.98 | 10.4 | 1 |
| Neuromedin-K receptor CHEMBL4429 | Kd | 7.74 | 7.74 | 18.2 | 1 |
| Neuromedin-K receptor CHEMBL3799 | Kd | 7.62 | 7.575 | 24.0 | 2 |
| Substance-P receptor CHEMBL249 | Ki | 7.15 | 7.15 | 70.9 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 6.02 | 6.02 | 952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19817444 | 10.1021/jm900948q | Neuromedin-K receptor | 6 |
| 19817444 | 10.1021/jm900948q | Substance-P receptor | 1 |
| 19817444 | 10.1021/jm900948q | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine