Compound Detail
CHEMBL385831
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Basic Information
| ChEMBL ID | CHEMBL385831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXGAUBMIKBEJAL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
5.23
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL1075228 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 196.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 93.33 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 3.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-S... | 16887348 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA | 16887348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16887348 | 10.1016/j.bmcl.2006.07.040 | Rattus norvegicus | 4 |
| 16887348 | 10.1016/j.bmcl.2006.07.040 | Melanin-concentrating hormone receptor 1 | 2 |
| 16887348 | 10.1016/j.bmcl.2006.07.040 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine