Compound Detail
CHEMBL3668755
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
NC(=O)n1cc(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL3668755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNBXMRWWKQPEIH-UGSOOPFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
491.4
MW (Da)
3.07
ALogP
6
HBA
4
HBD
138.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 5.85 | 5.85 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 1425.0 | nM | 5.85 | In Vitro Assay: Recombinant human factor D (expressed in E. coli and purified us... | - |
| Complement factor D | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant human complement factor D catalytic domain using Z-Lys... | 28621538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28621538 | 10.1021/acs.jmedchem.7b00425 | ADMET | 3 |
| 28621538 | 10.1021/acs.jmedchem.7b00425 | Complement factor D | 1 |
| 28621538 | 10.1021/acs.jmedchem.7b00425 | Cytochrome P450 2C9 | 1 |
| 28621538 | 10.1021/acs.jmedchem.7b00425 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine