Compound Detail
CHEMBL474038
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CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)[C@@H](C)O)NC(=O)[C@H](C(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL474038 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CXMBFUMTPNXCMT-HDHGSYJOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
0.51
ALogP
5
HBA
5
HBD
136.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T98G CHEMBL614775 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Galanin receptor type 1 CHEMBL5504 | IC50 | 7.96 | 7.96 | 11.1 | 1 |
| Galanin receptor type 2 CHEMBL5577 | IC50 | 6.27 | 6.27 | 542.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T98G | IC50 | = | 4.0 | nM | 8.4 | Inhibition of [3H]glycine uptake in human T98G cells | 19013063 |
| Galanin receptor type 1 | IC50 | = | 11.1 | nM | 7.96 | Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in afric... | 19013063 |
| Galanin receptor type 2 | IC50 | = | 542.0 | nM | 6.27 | Inhibition of [3H]glycine uptake at rat glycine transporter 2 expressed in afric... | 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