Compound Detail
CHEMBL3330488
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CS(=O)(=O)c1ccccc1-c1ccc2c(c1)SC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21
Basic Information
| ChEMBL ID | CHEMBL3330488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSUQFPMHZLFNPC-IRXDYDNUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.1
MW (Da)
4.70
ALogP
7
HBA
1
HBD
92.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.68 | 7.68 | 20.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 20.87 | nM | 7.68 | Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic s... | 25179681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25179681 | 10.1021/jm501045e | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine