Compound Detail
CHEMBL1957001
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Basic Information
| ChEMBL ID | CHEMBL1957001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAOJMVQPBCXIRY-KRWDZBQOSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.62
ALogP
8
HBA
0
HBD
73.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Ki 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.54 | 7.54 | 29.2 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.62 | 5.62 | 2398.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | Ki | = | 0.1 | nM | 10.0 | Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a ... | 22342626 |
| Unchecked | IC50 | = | 29.2 | nM | 7.54 | Antagonist activity at mouse GSH-R1a receptor expressed in HEK293 cells assessed... | 22342626 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human Erg by patch clamp assay | 22342626 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2398.83 | nM | 5.62 | Inhibition of human Erg by patch clamp assay | 22342626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22342626 | 10.1016/j.bmcl.2012.01.078 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 22342626 | 10.1016/j.bmcl.2012.01.078 | Growth hormone secretagogue receptor type 1 | 1 |
| 22342626 | 10.1016/j.bmcl.2012.01.078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine