Compound Detail
CHEMBL217080
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CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C2CCc3ccc(S(=O)(=O)N(C)C)cc3C2)CC1
Basic Information
| ChEMBL ID | CHEMBL217080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJUIALFFVKEFNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
566.1
MW (Da)
3.76
ALogP
5
HBA
1
HBD
76.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 3000.0 | nM | 5.52 | 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