Compound Detail
CHEMBL1642486
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Basic Information
| ChEMBL ID | CHEMBL1642486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHMGBTHOLTYBSS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.91
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.29 | 7.975 | 5.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 4.3 | nM | 8.37 | Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4... | 21190859 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 5.1 | nM | 8.29 | Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition... | 21190859 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 22.0 | nM | 7.66 | Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition... | 21190859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21190859 | 10.1016/j.bmc.2010.12.002 | Melanin-concentrating hormone receptor 1 | 2 |
| 21190859 | 10.1016/j.bmc.2010.12.002 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine