Compound Detail
CHEMBL187721
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N#Cc1cccc(-c2ccc(N(C(=O)Nc3cccc(Cl)c3)C3CCN(C4CCCC4)CC3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL187721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPHUHIPVCQOVTH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
499.1
MW (Da)
7.32
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 8.24 | 8.24 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 5.8 | nM | 8.24 | Inhibition of human melanin concentrating hormone receptor 1 | 16033253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033253 | 10.1021/jm0503852 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine