Compound Detail
CHEMBL219860
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CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL219860 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KSDNMEGNCSHTNC-MZUDAGKNSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1634.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Kd 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C3 CHEMBL4917 | Kd | 7.46 | 7.46 | 35.0 | 1 |
| Complement C3 CHEMBL4917 | IC50 | 6.35 | 6.35 | 446.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C3 | Kd | = | 35.0 | nM | 7.46 | Binding affinity to complement C3 | 16854067 |
| Complement C3 | IC50 | = | 446.0 | nM | 6.35 | Inhibition of complement C3 | 16854067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854067 | 10.1021/jm0603419 | Complement C3 | 3 |
| 16725322 | 10.1016/j.bmcl.2006.05.019 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine