Compound Detail
CHEMBL577259
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CNc1nc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ncc1C
Basic Information
| ChEMBL ID | CHEMBL577259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBZTXXRRZJSUBS-XFHMXUHZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
5.27
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 200.0 | nM | 6.7 | 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