Compound Detail
CHEMBL5435382
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
Cc1cc([C@H]2CN(c3ccc4c(N)nncc4c3)CCN2c2cccc(F)c2)no1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5435382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQFRFBDKPJGAGN-ZMBIFBSDSA-N |
| Parent Compound | CHEMBL5499926 |
| Active Moiety | CHEMBL5499926 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
3.72
ALogP
7
HBA
1
HBD
84.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1s subcomponent CHEMBL3913 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1s subcomponent | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human recombinant N-terminal IgG tagged and C-terminal His tagged ... | 37120845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37120845 | 10.1021/acs.jmedchem.3c00348 | Complement C1s subcomponent | 1 |
| 37120845 | 10.1021/acs.jmedchem.3c00348 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine