Compound Detail
CHEMBL208827
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CN(C)C(=O)N1CCC(=C(c2ccc(-c3cccc(C#N)c3)cc2)c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL208827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNXCIXBMWXYBGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
547.6
MW (Da)
6.84
ALogP
3
HBA
1
HBD
76.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1292.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 37.0 | nM | 7.43 | Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium i... | 16690315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16690315 | 10.1016/j.bmcl.2006.04.062 | Melanin-concentrating hormone receptor 1 | 3 |
| 16690315 | 10.1016/j.bmcl.2006.04.062 | Mus musculus | 1 |
| 16690315 | 10.1016/j.bmcl.2006.04.062 | Melanin-concentrating hormone receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine