Compound Detail
CHEMBL3330494
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
O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3NC[C@@H]12)c1ccc(Cl)s1
Basic Information
| ChEMBL ID | CHEMBL3330494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLODSBOGZDCFBJ-HOTGVXAUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.9
MW (Da)
3.47
ALogP
6
HBA
2
HBD
91.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.82 | 7.82 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 15.2 | nM | 7.82 | Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic s... | 25179681 |
| Coagulation factor X | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human factor Xa | 38513340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25179681 | 10.1021/jm501045e | Coagulation factor X | 1 |
| 38513340 | 10.1016/j.ejmech.2024.116326 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine