Compound Detail
CHEMBL1642482
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1642482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOVAEQYMKDVCHF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
4.28
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.36 | 8.04 | 4.4 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 4.4 | nM | 8.36 | Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition... | 21190859 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 5.8 | nM | 8.24 | 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 | = | 19.0 | nM | 7.72 | 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 | ADMET | 2 |
| 21190859 | 10.1016/j.bmc.2010.12.002 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21190859 | 10.1016/j.bmc.2010.12.002 | Plasma | 1 |
| 21190859 | 10.1016/j.bmc.2010.12.002 | Brain | 1 |
Data from ChEMBL 36 via Core Engine