Compound Detail
CHEMBL20733
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
N=C(N)c1cccc(C(=O)N[C@@H](C(=O)OCCC2CCN(C(=N)N)CC2)c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL20733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAZBPIOYCPMZGY-HXUWFJFHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
1.98
ALogP
5
HBA
5
HBD
158.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 26.0 | nM | 7.58 | Inhibitory concentration against human Coagulation factor Xa (fXa) | 11881991 |
| Serine protease 1 | Ki | = | 1600.0 | nM | 5.8 | Inhibitory concentration against bovine trypsin | 11881991 |
| Prothrombin | Ki | = | 8000.0 | nM | 5.1 | Inhibitory concentration against thrombin. | 11881991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881991 | 10.1021/jm010944e | Coagulation factor X | 1 |
| 11881991 | 10.1021/jm010944e | Serine protease 1 | 1 |
| 11881991 | 10.1021/jm010944e | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine