Compound Detail
CHEMBL423421
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Cc1nsc(C)c1S(=O)(=O)N1CCN(CC(=O)NC(CCCN=C(N)N)C(=O)c2nccs2)C(=O)C1
Basic Information
| ChEMBL ID | CHEMBL423421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBKZIKACZDDSRS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
-0.53
ALogP
10
HBA
3
HBD
194.0
PSA (Ų)
0.14
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 6.17 | 6.17 | 669.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 69.0 | nM | 7.16 | In vitro inhibitory activity against factor Xa | 12639567 |
| Prothrombin | IC50 | = | 669.0 | nM | 6.17 | In vitro inhibitory activity against serine protease thrombin | 12639567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639567 | 10.1016/s0960-894x(02)01037-5 | Coagulation factor X | 1 |
| 12639567 | 10.1016/s0960-894x(02)01037-5 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine