Compound Detail
CHEMBL5859255
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CCOC1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)[C@@H](c2ccc(C(=O)O)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL5859255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSQMNTWGQUIWQT-UIDYPRJRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
5.79
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor B CHEMBL5731 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor B | IC50 | = | 1700.0 | nM | 5.77 | Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... | - |
Data from ChEMBL 36 via Core Engine