Compound Detail
CHEMBL3618330
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Basic Information
| ChEMBL ID | CHEMBL3618330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBPPNVLOMMAFMB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.9
MW (Da)
3.00
ALogP
7
HBA
1
HBD
67.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.52
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL1075228 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 0.3 | nM | 9.52 | Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting... | 26386604 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 0.4 | nM | 9.4 | Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cel... | 26386604 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human ERG by flux assay | 26386604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26386604 | 10.1016/j.bmcl.2015.09.018 | Melanin-concentrating hormone receptor 1 | 2 |
| 26386604 | 10.1016/j.bmcl.2015.09.018 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine