Compound Detail
CHEMBL5612906
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Basic Information
| ChEMBL ID | CHEMBL5612906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCJVBXXJKAHJAY-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
4.15
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.11
IC50 2 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL1075228 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.69 | 6.69 | 205.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.014 | - | Homo sapiens |
| Fu | 0.008 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 0.78 | nM | 9.11 | Displacement of [125I]MCH from rat MCHR1 extracted from HEK293 cell membrane ass... | 39053192 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 0.89 | nM | 9.05 | Displacement of [125I]MCH from human MCHR1 extracted from HEK293 cell membrane a... | 39053192 |
| Unchecked | Ki | = | 0.9 | nM | 9.05 | Radioligand Binding Assay: An in vitro binding assay was used to determine the c... | - |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 205.0 | nM | 6.69 | Antagonist activity at MCHR1 (unknown origin) using MCH peptide as substrate ass... | 39053192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39053192 | 10.1016/j.ejmech.2024.116686 | ADMET | 6 |
| 39053192 | 10.1016/j.ejmech.2024.116686 | Melanin-concentrating hormone receptor 1 | 3 |
| 39053192 | 10.1016/j.ejmech.2024.116686 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine