Compound Detail
CHEMBL211232
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Oc1ccc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)cn1
Basic Information
| ChEMBL ID | CHEMBL211232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXKSAIRBLNKHSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
6.80
ALogP
4
HBA
2
HBD
65.0
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 6.76 | 6.76 | 174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 174.0 | nM | 6.76 | 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 2 | 1 |
| 16690315 | 10.1016/j.bmcl.2006.04.062 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine