Compound Detail
CHEMBL1170024
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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1170024 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WZZZEVMVZFWLNO-QYEYXIDWSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1820.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.9
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor CHEMBL4761 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| C3a anaphylatoxin chemotactic receptor CHEMBL4761 | EC50 | 5.9 | 5.895 | 1258.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 2.0 | nM | 8.7 | Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation coun... | 20527893 |
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 1.995 | nM | 8.7 | Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation coun... | 20527893 |
| C3a anaphylatoxin chemotactic receptor | EC50 | = | 1258.93 | nM | 5.9 | Agonist activity at human C3a receptor in human U937 cells assessed as induction... | 20527893 |
| C3a anaphylatoxin chemotactic receptor | EC50 | = | 1300.0 | nM | 5.89 | Agonist activity at human C3a receptor in human U937 cells assessed as induction... | 20527893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20527893 | 10.1021/jm1003705 | C3a anaphylatoxin chemotactic receptor | 4 |
| 20527893 | 10.1021/jm1003705 | C5a anaphylatoxin chemotactic receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine