Compound Detail
CHEMBL216460
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CC(C)C(=O)Nc1ccc2c(c1)CC(N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2
Basic Information
| ChEMBL ID | CHEMBL216460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KROXLQNVMVQKIP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.1
MW (Da)
5.10
ALogP
4
HBA
2
HBD
67.9
PSA (Ų)
0.49
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 61.0 | nM | 7.21 | Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes | 17251014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17251014 | 10.1016/j.bmcl.2006.12.080 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine