Compound Detail
CHEMBL568209
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
CN(C)c1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL568209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OITPKJMPACUWKM-GASCZTMLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.04
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 58.0 | nM | 7.24 | Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cell... | 19773162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19773162 | 10.1016/j.bmcl.2009.09.003 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine