Compound Detail
CHEMBL7626
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
CS(=O)(=O)NCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc(Cl)c(N)c2)=NO1
Basic Information
| ChEMBL ID | CHEMBL7626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVDBIMWPWVSMPA-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
579.1
MW (Da)
1.68
ALogP
9
HBA
4
HBD
195.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.82 | 8.0533 | 1.5 | 3 |
| Coagulation factor X CHEMBL5062 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Prothrombin CHEMBL204 | Ki | 6.1 | 5.995 | 800.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.833 | mL.min-1.kg-1 | Canis lupus familiaris |
| T1/2 | 7.25 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 1.5 | nM | 8.82 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Coagulation factor X | Ki | = | 1.9 | nM | 8.72 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Coagulation factor X | Ki | = | 2.3 | nM | 8.64 | Inhibitory activity against Rabbit factor Xa was determined | 12643903 |
| Coagulation factor X | Ki | = | 240.0 | nM | 6.62 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
| Prothrombin | Ki | = | 800.0 | nM | 6.1 | Inhibitory activity against thrombin using human purified enzyme | 12643903 |
| Prothrombin | Ki | = | 1300.0 | nM | 5.89 | Inhibitory activity against thrombin using human purified enzyme | 12643903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Coagulation factor X | 4 |
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Prothrombin | 3 |
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Serine protease 1 | 3 |
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Canis familiaris | 2 |
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine