Compound Detail
CHEMBL468299
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Basic Information
| ChEMBL ID | CHEMBL468299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWMMLXRVWDEIDY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.7
MW (Da)
6.52
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 42.0 | nM | 7.38 | Displacement of [125I]MCH from human MCHR1 expressed in CHO cells | 19403308 |
| Alpha-1A adrenergic receptor | IC50 | = | 540.0 | nM | 6.27 | Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in... | 19403308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19403308 | 10.1016/j.bmcl.2009.04.016 | Melanin-concentrating hormone receptor 1 | 1 |
| 19403308 | 10.1016/j.bmcl.2009.04.016 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine