Compound Detail
CHEMBL19594
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
CC(=N)N1CC[C@H](Oc2ccc(C(Cc3ccc4cc(C(=N)N)ccc4c3)C(=O)O)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL19594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDKBUZKECUQYHR-UXMRNZNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.99
ALogP
4
HBA
4
HBD
123.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 360.0 | nM | 6.44 | In vitro evaluation for the concentration needed for inhibiting factor Xa by 50% | 8164262 |
| Prothrombin | IC50 | = | 22000.0 | nM | 4.66 | In vitro evaluation for the concentration needed for inhibiting thrombin by 50% | 8164262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164262 | 10.1021/jm00034a018 | ADMET | 1 |
| 8164262 | 10.1021/jm00034a018 | Coagulation factor X | 1 |
| 8164262 | 10.1021/jm00034a018 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine