Compound Detail
CHEMBL426292
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Basic Information
| ChEMBL ID | CHEMBL426292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHLRSGMODYTCJK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
5.57
ALogP
5
HBA
2
HBD
71.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL4730 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Melanin-concentrating hormone receptor CHEMBL2111437 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| IMR-32 CHEMBL614585 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1.43 | ug hr-1 g-1 | Mus musculus |
| AUC | 5.35 | ug hr-1 g-1 | Mus musculus |
| Cmax | 260.0 | ng g-1 | Mus musculus |
| Cmax | 557.14 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory concentration against mouse Melanin-concentrating hormone receptor 1 ... | 15911251 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 12.0 | nM | 7.92 | Displacement of [125I]MCH from MCHr1 expressed in IMR32 (I3.4.2) cells | 16570930 |
| Melanin-concentrating hormone receptor | IC50 | = | 104.0 | nM | 6.98 | Inhibition of Melanin-concentrating hormone (MCH) mediated [Ca2+] release in IMR... | 15911251 |
| IMR-32 | IC50 | = | 104.0 | nM | 6.98 | Inhibition of MCH-mediated calcium release in whole IMR32 cells by FLIPR assay | 16570930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911251 | 10.1016/j.bmcl.2005.03.114 | Mus musculus | 17 |
| 15911251 | 10.1016/j.bmcl.2005.03.114 | ADMET | 4 |
| 16570930 | 10.1021/jm0512286 | Rattus norvegicus | 2 |
| 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 |
| 16570930 | 10.1021/jm0512286 | IMR-32 | 1 |
| 16570930 | 10.1021/jm0512286 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine