Compound Detail
CHEMBL250528
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COc1ccc2nc(N[C@H]3C[C@H]4C[C@@H]3[C@@H](NCc3ccsc3)C4)cc(C)c2c1
Basic Information
| ChEMBL ID | CHEMBL250528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQOMNSKUNPUMQB-NHRGSCSFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.6
MW (Da)
4.98
ALogP
5
HBA
2
HBD
46.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.43 | 6.43 | 369.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 369.0 | nM | 6.43 | 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 |
Data from ChEMBL 36 via Core Engine