Compound Detail
CHEMBL3978495
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CCC[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1
Basic Information
| ChEMBL ID | CHEMBL3978495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POOFHGGOBNJKBJ-VYENPZKTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
3.77
ALogP
8
HBA
1
HBD
117.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
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