Compound Detail
CHEMBL3109653
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Cc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc3cccc(C(F)(F)F)n3)c2c(C)n1
Basic Information
| ChEMBL ID | CHEMBL3109653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRKWLYPBGKEJKY-YUELXQCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
2.19
ALogP
7
HBA
2
HBD
136.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 6.0 | nM | 8.22 | Inhibition of recombinant human factor D expressed in Escherichia coli using Z-L... | 24900799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900799 | 10.1021/ml500037a | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine