Compound Detail
CHEMBL215457
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Basic Information
| ChEMBL ID | CHEMBL215457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJPINZQDGHCYRP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.03
ALogP
6
HBA
1
HBD
88.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 5.9 | 5.9 | 1267.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.57 | 4.57 | 26700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 1267.0 | nM | 5.9 | Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells | 17234405 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 26700.0 | nM | 4.57 | Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates | 17234405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17234405 | 10.1016/j.bmcl.2006.11.065 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17234405 | 10.1016/j.bmcl.2006.11.065 | Melanin-concentrating hormone receptor 1 | 1 |
| 17234405 | 10.1016/j.bmcl.2006.11.065 | Melanin-concentrating hormone receptor | 1 |
| 17234405 | 10.1016/j.bmcl.2006.11.065 | Melanin-concentrating hormone receptor 2/HERG | 1 |
Data from ChEMBL 36 via Core Engine