Compound Detail
CHEMBL8356
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CCNC(=O)NCC1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc(Cl)c(N)c2)=NO1
Basic Information
| ChEMBL ID | CHEMBL8356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBVGHOGZTHOKGU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
572.0
MW (Da)
2.45
ALogP
8
HBA
5
HBD
190.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.16 | 7.16 | 69.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 69.0 | nM | 7.16 | Inhibitory activity against factor Xa using human purified enzyme. | 12643903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Coagulation factor X | 1 |
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Prothrombin | 1 |
| 12643903 | 10.1016/s0960-894x(03)00080-5 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine