Compound Detail
CHEMBL369986
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Basic Information
| ChEMBL ID | CHEMBL369986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNCBMBGKEPQQPH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.0
MW (Da)
4.58
ALogP
8
HBA
1
HBD
81.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.7 | 6.865 | 20.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 164.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 128.58 | nM | Mus musculus |
| T1/2 | 2.3 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 20.0 | nM | 7.7 | Binding affinity to human MCHr1 from neuronal IMR32 cells | 16203136 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 930.0 | nM | 6.03 | Functional antagonism of MCH-mediated calcium release by FLIPR using human MCHr1... | 16203136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16203136 | 10.1016/j.bmcl.2005.08.049 | Mus musculus | 3 |
| 16203136 | 10.1016/j.bmcl.2005.08.049 | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine