Compound Detail
CHEMBL58758
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL58758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHQUQNWDSJVANI-SJEIDVEUSA-N |
| Parent Compound | CHEMBL1179075 |
| Active Moiety | CHEMBL1179075 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
623.8
MW (Da)
0.15
ALogP
9
HBA
4
HBD
188.4
PSA (Ų)
0.16
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.35
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 6.35 | 6.35 | 448.5 | 1 |
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | IC50 | 5.57 | 5.57 | 2670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 448.5 | nM | 6.35 | Functional potency measured as intracellular calcium elevation in Hek-293 cells ... | 11459669 |
| Growth hormone secretagogue receptor type 1 | IC50 | = | 2670.0 | nM | 5.57 | Binding affinity towards human Growth hormone secretagogue receptor type 1 using... | 11459669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459669 | 10.1016/s0960-894x(01)00324-9 | Growth hormone secretagogue receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine