Compound Detail
CHEMBL2146615
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COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3cccc(NC(C)=O)c3)CC2)C(=O)N1.Cl
Basic Information
| ChEMBL ID | CHEMBL2146615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRHMKHZSQPQGCD-JCOPYZAKSA-N |
| Parent Compound | CHEMBL185271 |
| Active Moiety | CHEMBL185271 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
613.7
MW (Da)
4.04
ALogP
7
HBA
3
HBD
129.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Kd | 9.74 | 9.74 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Kd | = | 0.18 | nM | 9.74 | Binding affinity to human MCHR1 expressed in COS7 cells | 22921745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22921745 | 10.1016/j.bmc.2012.07.051 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine