Compound Detail
CHEMBL4247287
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CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N(C)[C@H](C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4247287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICYCAOQDKZIATC-CFLLVYRZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1668.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Kd 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C3 CHEMBL4917 | Kd | 8.64 | 8.64 | 2.3 | 1 |
| Complement C3 CHEMBL4917 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C3 | Kd | = | 2.3 | nM | 8.64 | Binding affinity to C3 derived from human plasma by ITC analysis | 28977749 |
| Complement C3 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of C3 in human serum by ELISA | 28977749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Complement C3 | 2 |
Data from ChEMBL 36 via Core Engine