Compound Detail
CHEMBL346117
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)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL346117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUKKHGMVJBZQLB-HXUWFJFHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
0.20
ALogP
6
HBA
6
HBD
174.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 4.55 | 4.55 | 28000.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 1200.0 | nM | 5.92 | In vitro inhibition of plasminogen activator urokinase. | 11844691 |
| Serine protease 1 | Ki | = | 1800.0 | nM | 5.75 | In vitro inhibition of trypsin. | 11844691 |
| Prothrombin | Ki | = | 11000.0 | nM | 4.96 | In vitro inhibition of thrombin. | 11844691 |
| Coagulation factor X | Ki | = | 28000.0 | nM | 4.55 | In vitro inhibition of Coagulation factor Xa. | 11844691 |
| Plasminogen | Ki | = | 32000.0 | nM | 4.5 | In vitro inhibition of Plasmin. | 11844691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Urokinase-type plasminogen activator | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Plasminogen | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Serine protease 1 | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Prothrombin | 1 |
| 11844691 | 10.1016/s0960-894x(01)00815-0 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine