Compound Detail
CHEMBL2032048
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
C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCOCC3)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL2032048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXWOJMUVVLHEGE-GPMSIDNRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
5.06
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 9.0 | nM | 8.05 | Displacement of [125I]-MCH from MCHR1 after 2 hrs by scintillation counting | 22542010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22542010 | 10.1016/j.bmcl.2012.04.006 | Melanin-concentrating hormone receptor 1 | 1 |
| 22542010 | 10.1016/j.bmcl.2012.04.006 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine