Compound Detail
CHEMBL209993
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N#Cc1cccc(-c2ccc(C(=C3CCNCC3)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL209993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZSGUXROLZTHQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
6.44
ALogP
3
HBA
2
HBD
64.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 3.6 | nM | 8.44 | 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