Compound Detail
CHEMBL402758
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Basic Information
| ChEMBL ID | CHEMBL402758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LERHVOWPSNNLSL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
1.68
ALogP
6
HBA
5
HBD
148.9
PSA (Ų)
0.16
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 3300.0 | nM | Canis lupus familiaris |
| F | 65.0 | % | Canis lupus familiaris |
| T1/2 | 3.2 | hr | Canis lupus familiaris |
| T1/2 | 2.8 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.79 | nM | 9.1 | Binding affinity to human thrombin | 18420408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18420408 | 10.1016/j.bmcl.2008.03.087 | Canis familiaris | 6 |
| 18420408 | 10.1016/j.bmcl.2008.03.087 | Plasma | 3 |
| 18420408 | 10.1016/j.bmcl.2008.03.087 | Prothrombin | 1 |
| 18420408 | 10.1016/j.bmcl.2008.03.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine