Compound Detail
CHEMBL425445
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CCN(CC)Cc1ccc(CCN2CCn3nc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL425445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWMTVEWDXBCRIR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
4.69
ALogP
5
HBA
1
HBD
70.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.3 | 6.3 | 497.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 6.3 | 6.3 | 497.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 497.0 | nM | 6.3 | Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressi... | 31678007 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 497.0 | nM | 6.3 | Functional antagonism of MCH-R1 expressed in HEK293 cells | 17174091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17174091 | 10.1016/j.bmcl.2006.10.096 | Melanin-concentrating hormone receptor 1 | 1 |
| 31678007 | 10.1016/j.bmcl.2019.126741 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine