Compound Detail
CHEMBL93796
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
Basic Information
| ChEMBL ID | CHEMBL93796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTFWSCPFRKNWEI-FQEVSTJZSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
2.20
ALogP
4
HBA
3
HBD
116.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.1 | 6.755 | 80.0 | 4 |
| Trypsin II CHEMBL4472 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
| Vitamin K-dependent protein C CHEMBL4444 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 80.0 | nM | 7.1 | Inhibitory activity against Coagulation factor Xa | 10464012 |
| Coagulation factor X | Ki | = | 230.0 | nM | 6.64 | Binding affinity against serine protease Coagulation factor X | 10509929 |
| Coagulation factor X | Ki | = | 230.0 | nM | 6.64 | Compound was evaluated for the inhibition of human Coagulation factor Xa | 10479288 |
| Coagulation factor X | Ki | = | 230.0 | nM | 6.64 | Inhibition of factor 10a | 20503967 |
| Trypsin II | Ki | = | 2900.0 | nM | 5.54 | Inhibitory activity against bovine pancreatic trypsin | 10479288 |
| Plasminogen | Ki | = | 4700.0 | nM | 5.33 | Compound was evaluated for the inhibition of plasmin | 10479288 |
| Vitamin K-dependent protein C | Ki | = | 7000.0 | nM | 5.16 | Compound was evaluated for the inhibition of Activated protein C (aPC) | 10479288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10464012 | 10.1021/jm9806998 | Coagulation factor X | 1 |
| 10509929 | 10.1016/s0960-894x(99)00466-7 | Coagulation factor X | 1 |
| 10479288 | 10.1021/jm990040h | Coagulation factor X | 1 |
| 10479288 | 10.1021/jm990040h | Prothrombin | 1 |
| 10479288 | 10.1021/jm990040h | Trypsin II | 1 |
| 10479288 | 10.1021/jm990040h | Vitamin K-dependent protein C | 1 |
| 10479288 | 10.1021/jm990040h | Plasminogen | 1 |
| 10479288 | 10.1021/jm990040h | Tissue-type plasminogen activator | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine