Compound Detail
CHEMBL568361
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Basic Information
| ChEMBL ID | CHEMBL568361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZEMPTLYQJKICO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.78
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 2.6 | nM | 8.59 | Displacement of [125I]MCH from human MCH1R expressed in CHO cells | 19683441 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 530.0 | nM | 6.28 | Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells | 19683441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19683441 | 10.1016/j.bmcl.2009.07.132 | Melanin-concentrating hormone receptor 1 | 1 |
| 19683441 | 10.1016/j.bmcl.2009.07.132 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine