Compound Detail
CHEMBL3678852
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CO[C@H]1[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2F)N(C(=O)Cn2nc(C(C)=O)c3cc(OCc4ncccn4)ccc32)C[C@@H]1F
Basic Information
| ChEMBL ID | CHEMBL3678852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRVFNLHGYUEQCA-RHLLTPQKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
648.5
MW (Da)
3.85
ALogP
10
HBA
1
HBD
137.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 5.0 | nM | 8.3 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
Data from ChEMBL 36 via Core Engine