Compound Detail
CHEMBL283945
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Basic Information
| ChEMBL ID | CHEMBL283945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZCGYYMWYHEEBE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
1.10
ALogP
8
HBA
3
HBD
149.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.07 | 7.07 | 85.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1616.67 | ng.hr.mL-1 | Canis lupus familiaris |
| Cmax | 1314.26 | nM | Canis lupus familiaris |
| T1/2 | 1.233 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 85.2 | nM | 7.07 | In vitro inhibitory constant against human thrombin (FIIa). | 11934589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Canis familiaris | 3 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Prothrombin | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Coagulation factor X | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Serine protease 1 | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine