Compound Detail
CHEMBL5613713
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Basic Information
| ChEMBL ID | CHEMBL5613713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKFNZAZXDQRSLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.25
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 8.38 | 8.38 | 4.1 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL1075228 | Ki | 8.21 | 8.21 | 6.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 4.14 | nM | 8.38 | Displacement of [125I]MCH from human MCHR1 extracted from HEK293 cell membrane a... | 39053192 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 6.15 | nM | 8.21 | Displacement of [125I]MCH from rat MCHR1 extracted from HEK293 cell membrane ass... | 39053192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39053192 | 10.1016/j.ejmech.2024.116686 | ADMET | 3 |
| 39053192 | 10.1016/j.ejmech.2024.116686 | Melanin-concentrating hormone receptor 1 | 2 |
| 39053192 | 10.1016/j.ejmech.2024.116686 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine