Compound Detail
CHEMBL503473
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CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL503473 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JWMXJVFGTXYBFM-AEXVMZOXSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
2233.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 10.0
Ki 2 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 1 CHEMBL4894 | Ki | 11.0 | 11.0 | 0.0 | 1 |
| Galanin receptor type 1 CHEMBL4894 | Kd | 10.0 | 10.0 | 0.1 | 1 |
| Galanin receptor type 2 CHEMBL3176 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Galanin receptor type 2 CHEMBL3176 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Galanin receptor type 3 CHEMBL2731 | Kd | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 1 | Ki | = | 0.01 | nM | 11.0 | Binding affinity to human GalR1 | 20121116 |
| Galanin receptor type 1 | Kd | = | 0.1 | nM | 10.0 | Binding affinity to human GalR1 | 19053761 |
| Galanin receptor type 2 | Ki | = | 1.8 | nM | 8.74 | Binding affinity to human GalR2 | 20121116 |
| Galanin receptor type 2 | Kd | = | 2.0 | nM | 8.7 | Binding affinity to human GalR2 | 19053761 |
| Galanin receptor type 3 | Kd | = | 15.0 | nM | 7.82 | Binding affinity to human GalR3 | 19053761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053761 | 10.1021/jm801088x | Galanin receptor type 3 | 1 |
| 19053761 | 10.1021/jm801088x | Galanin receptor type 2 | 1 |
| 19053761 | 10.1021/jm801088x | Galanin receptor type 1 | 1 |
| 20121116 | 10.1021/jm9018349 | Galanin receptor type 1 | 1 |
| 20121116 | 10.1021/jm9018349 | Galanin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine