Compound Detail
CHEMBL142240
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Basic Information
| ChEMBL ID | CHEMBL142240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRFQFOOQGLYZEY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
2.65
ALogP
7
HBA
2
HBD
101.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 4.1 | 4.1 | 80000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 670.0 | nM | Canis lupus familiaris |
| T1/2 | 3.2 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.9 | nM | 9.05 | Inhibitory constant against thrombin (IIa) | 12570369 |
| Serine protease 1 | Ki | = | 80000.0 | nM | 4.1 | Inhibitory constant against human trypsin | 12570369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570369 | 10.1021/jm020311f | Canis familiaris | 2 |
| 12570369 | 10.1021/jm020311f | Prothrombin | 1 |
| 12570369 | 10.1021/jm020311f | Serine protease 1 | 1 |
| 12570369 | 10.1021/jm020311f | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine