Compound Detail
CHEMBL18778
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Basic Information
| ChEMBL ID | CHEMBL18778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIGQQNQBSBENQE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
14
Publications
0
Known Names
Molecular Properties
542.8
MW (Da)
6.94
ALogP
6
HBA
1
HBD
45.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 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 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 350.0 | ng.hr.mL-1 | - |
| Cmax | 589.59 | nM | - |
| T1/2 | 2.7 | hr | - |
| Vd | 37.4 | L.kg-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.9 | nM | 9.05 | Binding inhibition against thrombin was measured by nonlinear regression analysi... | 10201846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691691 | 10.1021/jm9903388 | ADMET | 6 |
| 10201846 | 10.1016/s0960-894x(99)00074-8 | Prothrombin | 2 |
| 10201846 | 10.1016/s0960-894x(99)00074-8 | ADMET | 2 |
| 10866380 | 10.1016/s0960-894x(00)00211-0 | Prothrombin | 1 |
| 11055353 | 10.1016/s0960-894x(00)00454-6 | Prothrombin | 1 |
| 10201846 | 10.1016/s0960-894x(99)00074-8 | NON-PROTEIN TARGET | 1 |
| 10201846 | 10.1016/s0960-894x(99)00074-8 | Rattus norvegicus | 1 |
| 10691691 | 10.1021/jm9903388 | Prothrombin | 1 |
| 10691691 | 10.1021/jm9903388 | NON-PROTEIN TARGET | 1 |
| 10691691 | 10.1021/jm9903388 | Serine protease 1 | 1 |
| 10691691 | 10.1021/jm9903388 | Coagulation factor VIII | 1 |
| 10691691 | 10.1021/jm9903388 | Plasminogen | 1 |
| 10691691 | 10.1021/jm9903388 | Homo sapiens | 1 |
| 10691691 | 10.1021/jm9903388 | Urokinase plasminogen activator surface receptor | 1 |
Data from ChEMBL 36 via Core Engine