Compound Detail
CHEMBL1923623
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C[C@@H]1C(=O)N[C@H](Cc2ccccc2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL1923623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGRCEZBNFKRETF-OXTYCOSGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
2.21
ALogP
5
HBA
3
HBD
99.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 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 | 9.105 | 0.1 | 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 GSHR1a transfected in HEK293 cell memb... | - |
| Growth hormone secretagogue receptor type 1 | Ki | = | 6.2 | nM | 8.21 | Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand bind... | 22106937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22106937 | 10.1021/jm2007062 | Growth hormone secretagogue receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine