Compound Detail
CHEMBL3589138
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Basic Information
| ChEMBL ID | CHEMBL3589138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOCZTJBQWUDXJG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.9
MW (Da)
4.17
ALogP
6
HBA
0
HBD
59.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Ki 1 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 5.51 | 5.51 | 3057.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.42 | nM | 9.38 | Displacement of [Phe13, [125I]Tyr19]-MCH from human MCHR1 E4Q/A5T double mutant ... | 26022839 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 3057.0 | nM | 5.51 | Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as inhibit... | 26022839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26022839 | 10.1016/j.bmcl.2015.05.008 | Unchecked | 1 |
| 26022839 | 10.1016/j.bmcl.2015.05.008 | No relevant target | 1 |
| 26022839 | 10.1016/j.bmcl.2015.05.008 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 26022839 | 10.1016/j.bmcl.2015.05.008 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine