Compound Detail
CHEMBL422630
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CCCCCCCC(=O)OC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL422630 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RWVGCMDBWHDKKY-HJOGWXRNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
2.14
ALogP
6
HBA
4
HBD
156.7
PSA (Ų)
0.17
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 2500.0 | nM | 5.6 | Effective dose measuring intracellular calcium elevation in HEK293 cells | 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 |
Data from ChEMBL 36 via Core Engine