Compound Detail
CHEMBL146982
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Basic Information
| ChEMBL ID | CHEMBL146982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIBFSRBTDFHVKQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.15
ALogP
7
HBA
2
HBD
129.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.333 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 3960.0 | nM | Canis lupus familiaris |
| F | - | % | - |
| T1/2 | 4.33 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 16.0 | nM | 7.8 | Tested in vitro for inhibition of human Coagulation factor X | 14640539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640539 | 10.1021/jm030212h | Canis familiaris | 5 |
| 14640539 | 10.1021/jm030212h | Coagulation factor X | 1 |
| 14640539 | 10.1021/jm030212h | Prothrombin | 1 |
| 14640539 | 10.1021/jm030212h | Serine protease 1 | 1 |
| 14640539 | 10.1021/jm030212h | NON-PROTEIN TARGET | 1 |
| 14640539 | 10.1021/jm030212h | ADMET | 1 |
Data from ChEMBL 36 via Core Engine