Compound Detail
CHEMBL194484
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Cc1cc(N(C)CCN(C)C)nc2ccc(N(Cc3ccc(F)c(F)c3)C(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL194484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBJZWMCHUBXPJC-RIYZIHGNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
598.6
MW (Da)
6.96
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 5.27 | 5.27 | 5360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 5360.0 | nM | 5.27 | Displacement of 15 pM [125I]MCH from human MCH1R expressed in CHO-K1 in whole-ce... | 16134937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine