Compound Detail
CHEMBL3668669
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COCCOc1ccc2c(c1)c(NC(=O)N1C3CC3C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3668669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLKWIPXCNBBABV-KGSCVUAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.0
MW (Da)
3.70
ALogP
6
HBA
3
HBD
127.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 5.0 | nM | 8.3 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
Data from ChEMBL 36 via Core Engine