Compound Detail
CHEMBL248297
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
O=C(NC1CCN(Cc2ccc(OCCCN3CCCCC3)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1
Basic Information
| ChEMBL ID | CHEMBL248297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUGSGWYMBUMSOM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
4.72
ALogP
6
HBA
1
HBD
75.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.52 | 7.795 | 3.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 3.0 | nM | 8.52 | Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells | 17350253 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 86.0 | nM | 7.07 | Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium rele... | 17350253 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 42000.0 | nM | 4.38 | Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane | 17350253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17350253 | 10.1016/j.bmcl.2006.11.068 | Melanin-concentrating hormone receptor 1 | 2 |
| 17350253 | 10.1016/j.bmcl.2006.11.068 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
Data from ChEMBL 36 via Core Engine