Compound Detail
CHEMBL5968743
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CCOC(=O)c1ccc([C@@H]2C[C@@H](OCC)CCN2Cc2c(OC)cc(C)c3[nH]ccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5968743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNTPRBUILGSJRH-URXFXBBRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
5.40
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor B CHEMBL5731 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor B | IC50 | = | 0.24 | nM | 9.62 | Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... | - |
Data from ChEMBL 36 via Core Engine