Compound Detail
CHEMBL244576
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CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccc(C(C)(C)C)cc4)c3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL244576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBFKAYUDAAUXBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
7.75
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL1075228 | Ki | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 540.0 | nM | 6.27 | Displacement of [3H]T-226296 from rat recombinant MCH1 receptor | 17668922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17668922 | 10.1021/jm060383x | Melanin-concentrating hormone receptor 1 | 2 |
| 17668922 | 10.1021/jm060383x | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine