Compound Detail
CHEMBL3589151
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Basic Information
| ChEMBL ID | CHEMBL3589151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNUDVDYTQISQFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.0
MW (Da)
4.05
ALogP
6
HBA
1
HBD
66.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.7 | nM | 8.57 | Displacement of [Phe13, [125I]Tyr19]-MCH from human MCHR1 E4Q/A5T double mutant ... | 26022839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26022839 | 10.1016/j.bmcl.2015.05.008 | Unchecked | 1 |
| 26022839 | 10.1016/j.bmcl.2015.05.008 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine