Compound Detail
CHEMBL2113218
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
Cc1cc(N2C[C@@H](C)NC[C@@H]2C)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL2113218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYVHFHFBTVDGKU-SJORKVTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
4.65
ALogP
6
HBA
2
HBD
75.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.47 | 8.085 | 3.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 3.4 | nM | 8.47 | Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC a... | 16289819 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human MCH1 receptor by SPA assay | 16289819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289819 | 10.1016/j.bmcl.2005.10.066 | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine