Compound Detail
CHEMBL1922262
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C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCN3CCOCC3)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL1922262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQOGMEFNRHFVDB-GPMSIDNRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.12
ALogP
3
HBA
1
HBD
31.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.52 | 8.11 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 3.0 | nM | 8.52 | Displacement of [125I]-MCH from MCHR1 after 2 hrs by beta scintillation counting | 22019296 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 20.0 | nM | 7.7 | Antagonist activity at human MCHR1 expressed in Jurkat cells co-expressing apoae... | 22019296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22019296 | 10.1016/j.bmcl.2011.09.110 | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine