Compound Detail
CHEMBL335799
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CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL335799 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RVTGSJHDHAUAAQ-UFYCRDLUSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
-0.98
ALogP
8
HBA
6
HBD
202.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.14
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 7.14 | 7.14 | 72.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 7.14 | 7.14 | 72.0 | 1 |
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | IC50 | 6.05 | 6.05 | 889.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 72.0 | nM | 7.14 | Effective dose measuring intracellular calcium elevation in HEK293 cells | 11087562 |
| Growth hormone secretagogue receptor type 1 | EC50 | = | 72.0 | nM | 7.14 | Agonist activity at GHS-R1a (unknown origin) | 23816043 |
| Growth hormone secretagogue receptor type 1 | IC50 | = | 889.0 | nM | 6.05 | Binding affinity to cloned human growth hormone secretagogue receptor type 1 in ... | 11087562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087562 | 10.1021/jm0001727 | HEK293 | 2 |
| 11087562 | 10.1021/jm0001727 | Growth hormone secretagogue receptor type 1 | 1 |
| 23816043 | 10.1016/j.bmc.2013.06.006 | Growth hormone secretagogue receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine