Compound Detail
CHEMBL4635047
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Basic Information
| ChEMBL ID | CHEMBL4635047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHSFJJAVNLAHGJ-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.71
ALogP
2
HBA
2
HBD
31.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor B CHEMBL5731 | IC50 | 8.17 | 6.1225 | 6.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor B | IC50 | = | 6.8 | nM | 8.17 | Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... | - |
| Complement factor B | IC50 | = | 36.0 | nM | 7.44 | Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... | - |
| Complement factor B | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of human serine protease factor B by TR-FRET based competition bindin... | 32073845 |
| Complement factor B | IC50 | = | 36000.0 | nM | 4.44 | Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32073845 | 10.1021/acs.jmedchem.9b01870 | Complement factor B | 2 |
Data from ChEMBL 36 via Core Engine