Compound Detail
CHEMBL4114217
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CCN[C@H](CC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)c(F)c3n2)CC1)c1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL4114217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQQPKJKIBNLDSF-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
2.63
ALogP
9
HBA
2
HBD
129.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Complement factor B CHEMBL5731 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 1.0 | nM | 9.0 | ELISA Assay: CVF-Bb complex prepared from purified cobra venom factor (1 μM), re... | - |
| Complement factor B | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant human factor B expressed in drosophila cells assessed ... | 28977749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Complement factor B | 1 |
Data from ChEMBL 36 via Core Engine