Compound Detail
CHEMBL1957011
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Basic Information
| ChEMBL ID | CHEMBL1957011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDGXZHKIWMVOAM-KRWDZBQOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.29
ALogP
9
HBA
0
HBD
91.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.29 | 7.29 | 51.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | Ki | = | 5.0 | nM | 8.3 | Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a ... | 22342626 |
| Unchecked | IC50 | = | 51.8 | nM | 7.29 | Antagonist activity at mouse GSH-R1a receptor expressed in HEK293 cells assessed... | 22342626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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