Compound Detail
CHEMBL383359
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Basic Information
| ChEMBL ID | CHEMBL383359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJWWTNKROISUSJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.9
MW (Da)
4.02
ALogP
5
HBA
2
HBD
62.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.8 | 7.36 | 16.0 | 3 |
| IMR-32 CHEMBL614585 | IC50 | 6.42 | 6.42 | 376.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 8762.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 59057.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 4892.56 | nM | Mus musculus |
| Cmax | 31543.12 | nM | Mus musculus |
| T1/2 | 3.1 | hr | Mus musculus |
| T1/2 | 2.9 | 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 | = | 16.0 | nM | 7.8 | Displacement of [125I]MCH from MCHr1 expressed in IMR32 (I3.4.2) cells | 16570930 |
| 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 | = | 260.0 | nM | 6.58 | Functional antagonism of MCH-mediated calcium release by FLIPR using human MCHr1... | 16203136 |
| IMR-32 | IC50 | = | 376.0 | nM | 6.42 | Inhibition of MCH-mediated calcium release in whole IMR32 cells by FLIPR assay | 16570930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16203136 | 10.1016/j.bmcl.2005.08.049 | Mus musculus | 6 |
| 16203136 | 10.1016/j.bmcl.2005.08.049 | Melanin-concentrating hormone receptor 1 | 2 |
| 16570930 | 10.1021/jm0512286 | Rattus norvegicus | 2 |
| 16570930 | 10.1021/jm0512286 | IMR-32 | 1 |
| 16570930 | 10.1021/jm0512286 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine