Compound Detail
CHEMBL466425
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CN(CCCN1CCC2(CC1)OCc1cc(F)ncc12)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Basic Information
| ChEMBL ID | CHEMBL466425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIRCJEQVEFTOIQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
3.65
ALogP
6
HBA
0
HBD
63.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 9.34 | 9.115 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 0.46 | nM | 9.34 | Displacement of [125I]MCH from human MCHR1 expressed in CHO cells | 19403308 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 1.3 | nM | 8.89 | Displacement of [125I]MCH from human MCHR1 expressed in CHO cells | 19403308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19403308 | 10.1016/j.bmcl.2009.04.016 | LLC-PK1 | 4 |
| 19403308 | 10.1016/j.bmcl.2009.04.016 | Melanin-concentrating hormone receptor 1 | 2 |
| 19403308 | 10.1016/j.bmcl.2009.04.016 | Alpha-1A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine