Compound Detail
CHEMBL3683732
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CO[C@H]1[C@@H](C(=O)Nc2cccc(Br)n2)N(C(=O)Cn2nc(C(C)=O)c3ccccc32)C[C@@H]1F
Basic Information
| ChEMBL ID | CHEMBL3683732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYFDOHZLMOTKKF-SZFUDVHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.3
MW (Da)
2.60
ALogP
7
HBA
1
HBD
106.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 7.0 | nM | 8.15 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
Data from ChEMBL 36 via Core Engine