Compound Detail
CHEMBL505699
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC1=O
Basic Information
| ChEMBL ID | CHEMBL505699 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XYNAVBNWRSKIDD-RNBUTDDUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
713.0
MW (Da)
3.38
ALogP
6
HBA
6
HBD
174.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T98G CHEMBL614775 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T98G | IC50 | = | 1680.0 | nM | 5.78 | Inhibition of [3H]glycine uptake in human T98G cells | 19013063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19013063 | 10.1016/j.bmcl.2008.10.104 | T98G | 1 |
| 19013063 | 10.1016/j.bmcl.2008.10.104 | Galanin receptor type 1 | 1 |
| 19013063 | 10.1016/j.bmcl.2008.10.104 | Galanin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine