Compound Detail
CHEMBL382772
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CS(=O)(=O)c1ccc([C@]23CC[C@@H](N(CCCN4CCCC4=O)C(=O)Nc4ccc(F)c(Cl)c4)[C@H]2C3)cc1
Basic Information
| ChEMBL ID | CHEMBL382772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJVGLJJODOOTRM-GNMGOMLTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.1
MW (Da)
4.85
ALogP
4
HBA
1
HBD
86.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 5.79 | 5.79 | 1615.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 1615.0 | nM | 5.79 | Displacement of [125I]MCH from human MCHR1 expressed in CHO cell | 16570926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16570926 | 10.1021/jm050886n | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine