Compound Detail
CHEMBL195914
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Basic Information
| ChEMBL ID | CHEMBL195914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJCQYSICJWKIHX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.87
ALogP
7
HBA
0
HBD
57.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL4730 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| Melanin-concentrating hormone receptor CHEMBL2111437 | IC50 | 6.18 | 6.18 | 654.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1350.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1.71 | ug hr-1 g-1 | Mus musculus |
| Cmax | 1166.34 | nM | Mus musculus |
| Cmax | 183.0 | ng g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 5.9 | nM | 8.23 | Inhibitory concentration against mouse Melanin-concentrating hormone receptor 1 ... | 15911251 |
| Melanin-concentrating hormone receptor | IC50 | = | 654.0 | nM | 6.18 | Inhibition of Melanin-concentrating hormone (MCH) mediated [Ca2+] release in IMR... | 15911251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911251 | 10.1016/j.bmcl.2005.03.114 | ADMET | 4 |
| 15911251 | 10.1016/j.bmcl.2005.03.114 | Melanin-concentrating hormone receptor 1 | 1 |
| 15911251 | 10.1016/j.bmcl.2005.03.114 | Melanin-concentrating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine