Compound Detail
CHEMBL3683717
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CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cncc(Br)n2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3683717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEFSJQBWQBFDEK-WQVCFCJDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.3
MW (Da)
2.42
ALogP
7
HBA
1
HBD
110.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.52 | 8.41 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 3.0 | nM | 8.52 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
| 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