Compound Detail
CHEMBL203699
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Cc1cc(NCC(C)(C)CN(C)C)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL203699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCMLUYXNNCQCLL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.46
ALogP
6
HBA
2
HBD
75.7
PSA (Ų)
0.38
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.33 | 7.6167 | 4.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 4.7 | nM | 8.33 | Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC a... | 16289819 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human MCH1 receptor by SPA assay | 16289819 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 192.0 | nM | 6.72 | Displacement of [3H]myo-inositol from human MCH1 receptor expressed in CHO cell ... | 16289819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289819 | 10.1016/j.bmcl.2005.10.066 | Melanin-concentrating hormone receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine