Compound Detail
CHEMBL5749220
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COC1CCN(Cc2c(C3CC3)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL5749220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKPFEBYAYLCXDR-JWIMYKKASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.40
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor B CHEMBL5731 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor B | IC50 | = | 14.0 | nM | 7.85 | Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... | - |
Data from ChEMBL 36 via Core Engine