Compound Detail
CHEMBL383076
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Basic Information
| ChEMBL ID | CHEMBL383076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKEHSKGAWARCKO-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.54
ALogP
6
HBA
3
HBD
91.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| IMR-32 CHEMBL614585 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1020.0 | ng.hr.mL-1 | Mus musculus |
| AUC | - | ug.hr/g | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 57.0 | nM | 7.24 | Displacement of [125I]MCH from MCHr1 expressed in IMR32 (I3.4.2) cells | 16570930 |
| IMR-32 | IC50 | = | 214.0 | nM | 6.67 | Inhibition of MCH-mediated calcium release in whole IMR32 cells by FLIPR assay | 16570930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16570930 | 10.1021/jm0512286 | Rattus norvegicus | 2 |
| 16570930 | 10.1021/jm0512286 | Mus musculus | 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