Compound Detail
CHEMBL399367
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Basic Information
| ChEMBL ID | CHEMBL399367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSDJLPYXEAUVTE-IRXDYDNUSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
4.96
ALogP
5
HBA
2
HBD
46.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.58 | 7.315 | 26.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 26.0 | nM | 7.58 | Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells | 17532215 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 90.0 | nM | 7.05 | Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GT... | 17532215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17532215 | 10.1016/j.bmcl.2007.05.034 | Melanin-concentrating hormone receptor 1 | 2 |
| 17532215 | 10.1016/j.bmcl.2007.05.034 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine