Compound Detail
CHEMBL387219
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(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(OC(F)(F)F)ccc2o1
Basic Information
| ChEMBL ID | CHEMBL387219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPVGIMJAYIADNO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
3.81
ALogP
7
HBA
1
HBD
90.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 132.0 | nM | 6.88 | Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells | 17064075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064075 | 10.1021/jm060683e | Melanin-concentrating hormone receptor 1 | 2 |
| 17064075 | 10.1021/jm060683e | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine