Compound Detail
CHEMBL2064012
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CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2064012 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MOXHERJZICPFHJ-OESUGZEZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1862.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.77
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor CHEMBL4761 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| C3a anaphylatoxin chemotactic receptor CHEMBL4761 | EC50 | 6.77 | 6.77 | 169.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 10.96 | nM | 7.96 | Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as... | 22500977 |
| C3a anaphylatoxin chemotactic receptor | EC50 | = | 169.82 | nM | 6.77 | Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as be... | 22500977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22500977 | 10.1021/jm201609k | C3a anaphylatoxin chemotactic receptor | 6 |
| 22500977 | 10.1021/jm201609k | C5a anaphylatoxin chemotactic receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine