Compound Detail
CHEMBL361215
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Basic Information
| ChEMBL ID | CHEMBL361215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQSBVOSOIXBYRP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.0
MW (Da)
5.87
ALogP
3
HBA
2
HBD
68.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.01
IC50 1 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 9.01 | 9.01 | 1.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 9.01 | 9.01 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 0.98 | nM | 9.01 | Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressi... | 31678007 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 0.98 | nM | 9.01 | Inhibitory constant towards Human melanin-concentrating hormone receptor | 15953726 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 0.98 | nM | 9.01 | Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes | 17251014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15953726 | 10.1016/j.bmcl.2005.05.039 | Melanin-concentrating hormone receptor 1 | 1 |
| 17251014 | 10.1016/j.bmcl.2006.12.080 | Melanin-concentrating hormone receptor 1 | 1 |
| 31678007 | 10.1016/j.bmcl.2019.126741 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine