Compound Detail
CHEMBL4113062
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COc1cc2c(N)nc(N3[C@H](C)CN(C(=O)C[C@@H](NC(C)C)c4ccc(C#N)cc4)C[C@@H]3C)nc2c(F)c1OC
Basic Information
| ChEMBL ID | CHEMBL4113062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLRSUHACPSGKAZ-KGVIQGDOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
3.79
ALogP
9
HBA
2
HBD
129.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 11.0 | nM | 7.96 | ELISA Assay: CVF-Bb complex prepared from purified cobra venom factor (1 μM), re... | - |
Data from ChEMBL 36 via Core Engine