Compound Detail
CHEMBL3668644
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C[C@H]1C[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1
Basic Information
| ChEMBL ID | CHEMBL3668644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNNRIJLBPFMFLJ-DJJJIMSYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
4.35
ALogP
5
HBA
3
HBD
118.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 300.0 | nM | 6.52 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
| Complement factor D | IC50 | = | 300.0 | nM | 6.52 | Inhibition of recombinant human complement factor D catalytic domain using Z-Lys... | 28621538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28621538 | 10.1021/acs.jmedchem.7b00425 | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine