Compound Detail
CHEMBL3673812
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C[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccc(OCCO)cc23)C1
Basic Information
| ChEMBL ID | CHEMBL3673812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIAQDJWQRLVIKH-NBGIEHNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.0
MW (Da)
3.38
ALogP
6
HBA
4
HBD
138.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 4.0 | nM | 8.4 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
Data from ChEMBL 36 via Core Engine