Compound Detail
CHEMBL73193
FIDEXABAN 🧪 Phase II
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
🧪 Phase II
CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(N(C)CC(=O)O)c2F)c1
Basic Information
| ChEMBL ID | CHEMBL73193 |
| Name | FIDEXABAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NPNSVNGQJGRSNR-UHFFFAOYSA-N |
3
Targets
9
Activities
1
Assay Types
1
PK Parameters
14
Publications
6
Known Names
Molecular Properties
526.5
MW (Da)
3.15
ALogP
9
HBA
4
HBD
157.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 9 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 10.0 | 9.976 | 0.1 | 5 |
| Serine protease 1 CHEMBL3769 | Ki | 6.55 | 6.55 | 280.0 | 2 |
| Prothrombin CHEMBL204 | Ki | 5.7 | 5.7 | 2000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 20.0 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.1 | nM | 10.0 | Binding affinity against Coagulation factor X | 10669559 |
| Coagulation factor X | Ki | = | 0.1 | nM | 10.0 | Inhibition of factor 10a | 20503967 |
| Coagulation factor X | Ki | = | 0.11 | nM | 9.96 | In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme sys... | 10639283 |
| Coagulation factor X | Ki | = | 0.11 | nM | 9.96 | Compound was tested for inhibitory activity against human Coagulation factor X | 9873520 |
| Coagulation factor X | Ki | = | 0.11 | nM | 9.96 | Inhibitory potency was measured against human coagulation factor X | 9733480 |
| Serine protease 1 | Ki | = | 280.0 | nM | 6.55 | Compound was tested for inhibitory activity against bovine trypsin | 9873520 |
| Serine protease 1 | Ki | = | 280.0 | nM | 6.55 | Inhibitory potency was measured against bovine trypsin. | 9733480 |
| Prothrombin | Ki | = | 2000.0 | nM | 5.7 | Compound was tested for inhibitory activity against human thrombin | 9873520 |
| Prothrombin | Ki | = | 2000.0 | nM | 5.7 | Inhibitory potency was measured against human thrombin | 9733480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733480 | 10.1021/jm980280h | Baboon | 5 |
| 9733480 | 10.1021/jm980280h | Cynomolgus monkey | 4 |
| 9733480 | 10.1021/jm980280h | Canis familiaris | 3 |
| 10639283 | 10.1021/jm990456v | Coagulation factor X | 1 |
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Coagulation factor X | 1 |
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Prothrombin | 1 |
| 9873520 | 10.1016/s0960-894x(98)00386-2 | Serine protease 1 | 1 |
| 10669559 | 10.1021/jm990412m | Coagulation factor X | 1 |
| 10669559 | 10.1021/jm990412m | Canis familiaris | 1 |
| 9733480 | 10.1021/jm980280h | Coagulation factor X | 1 |
| 9733480 | 10.1021/jm980280h | Prothrombin | 1 |
| 9733480 | 10.1021/jm980280h | Serine protease 1 | 1 |
| 9733480 | 10.1021/jm980280h | ADMET | 1 |
| 20503967 | 10.1021/jm100146h | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine