Compound Detail
CHEMBL2180764
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C[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccc(OCC(=O)O)cc23)C1
Basic Information
| ChEMBL ID | CHEMBL2180764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRTXXGBYCJOVKB-UQBPGWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
564.0
MW (Da)
3.47
ALogP
6
HBA
4
HBD
156.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant human complement factor D after 1 hr | 24900375 |
| Complement factor D | IC50 | = | 2.0 | nM | 8.7 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900375 | 10.1021/ml300233n | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine