Compound Detail
CHEMBL250124
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COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4cccc(OC(F)(F)F)c4)C3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL250124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIMABVFMBXYCGG-OALUTQOASA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
5.96
ALogP
5
HBA
2
HBD
55.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 64.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 15.0 | nM | 7.82 | Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells | 17532215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17532215 | 10.1016/j.bmcl.2007.05.034 | Melanin-concentrating hormone receptor 1 | 1 |
| 17532215 | 10.1016/j.bmcl.2007.05.034 | Liver microsomes | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine