Compound Detail
CHEMBL183215
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Basic Information
| ChEMBL ID | CHEMBL183215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSMBMIJRBXTECL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
5.18
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.0 | 7.94 | 10.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 10.0 | nM | 8.0 | Tested for MCH-1 induced [Ca2+] release from CHO cells transfected with human MC... | 15225734 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of MCH-mediated calcium influx into MCH-R1 expressing cells | 17178222 |
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | Inhibitory activity against Melanin-concentrating hormone receptor 1 | 15225734 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 15.0 | nM | 7.82 | Displacement of 125I-[Phe13,Tyr19]-MCH from MCH-R1 expressing cell membranes | 17178222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Unchecked | 2 |
| 17178222 | 10.1016/j.bmcl.2006.11.092 | Melanin-concentrating hormone receptor 1 | 2 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Melanin-concentrating hormone receptor 1 | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2A | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2B | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2C | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | D(2) dopamine receptor | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine