Compound Detail
CHEMBL4107253
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COCCN[C@H](CC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)c(F)c3n2)CC1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL4107253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDEAUMTYGWOPRL-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
2.52
ALogP
9
HBA
2
HBD
115.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 20.0 | nM | 7.7 | ELISA Assay: CVF-Bb complex prepared from purified cobra venom factor (1 μM), re... | - |
Data from ChEMBL 36 via Core Engine