Compound Detail
CHEMBL525783
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL525783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTQBQWQOPQHYBK-ZFIHJAGYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
2463.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2D CHEMBL303 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 500.0 | nM | 6.3 | Inhibition of rat NMDA NR2B receptor expressed in xenopus oocytes coexpressing N... | 17962189 |
| Glutamate receptor ionotropic, NMDA 2D | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of rat NMDA NR2D receptor expressed in xenopus oocytes coexpressing N... | 17962189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17962189 | 10.1074/jbc.m706611200 | Mus musculus | 4 |
| 17962189 | 10.1074/jbc.m706611200 | Unchecked | 2 |
| 17962189 | 10.1074/jbc.m706611200 | Glutamate receptor ionotropic, NMDA 2A | 1 |
| 17962189 | 10.1074/jbc.m706611200 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 17962189 | 10.1074/jbc.m706611200 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 17962189 | 10.1074/jbc.m706611200 | Glutamate receptor ionotropic, NMDA 2D | 1 |
Data from ChEMBL 36 via Core Engine