Compound Detail
CHEMBL254167
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CC(C)(N)C(=O)N[C@H](COCc1ccc(OC(F)(F)F)cc1)c1nnnn1CCOC(=O)NCCCCO
Basic Information
| ChEMBL ID | CHEMBL254167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWEMKFUHLVVNJF-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.5
MW (Da)
1.18
ALogP
11
HBA
4
HBD
175.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 7.48 | 7.48 | 33.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 33.2 | nM | 7.48 | Inhibition of human growth hormone secretagogue receptor assessed as measuring i... | 18295486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18295486 | 10.1016/j.bmcl.2008.02.021 | Growth hormone secretagogue receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine