Compound Detail
CHEMBL46434
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
Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(N(CC(=O)O)S(=O)(=O)c3cccc4cccnc34)ccc21
Basic Information
| ChEMBL ID | CHEMBL46434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAMMRXPDTIIEMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
3.28
ALogP
7
HBA
3
HBD
155.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human thrombin by chromogenic assay | 11960487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960487 | 10.1021/jm0109513 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine