Compound Detail
CHEMBL1791380
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CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL1791380 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ONZALKRWJBRGHJ-VJHZTZQRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1602.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.69
Kd 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C3 CHEMBL4917 | Kd | 7.82 | 7.82 | 15.0 | 1 |
| Complement C3 CHEMBL4917 | IC50 | 6.69 | 6.69 | 205.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C3 | Kd | = | 15.0 | nM | 7.82 | Binding affinity to complement C3 | 16854067 |
| Complement C3 | IC50 | = | 205.0 | nM | 6.69 | Inhibition of complement C3 | 16854067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854067 | 10.1021/jm0603419 | Complement C3 | 3 |
Data from ChEMBL 36 via Core Engine