Compound Detail
CHEMBL513218
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Basic Information
| ChEMBL ID | CHEMBL513218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVQADOBQCCCLRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
4.11
ALogP
4
HBA
3
HBD
98.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 100.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Rattus norvegicus |
| T1/2 | 6.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 0.8 | nM | 9.1 | Inhibition of Factor 10a | 19297154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19297154 | 10.1016/j.bmcl.2009.02.111 | ADMET | 2 |
| 19297154 | 10.1016/j.bmcl.2009.02.111 | Rattus norvegicus | 2 |
| 19297154 | 10.1016/j.bmcl.2009.02.111 | Coagulation factor X | 1 |
| 19297154 | 10.1016/j.bmcl.2009.02.111 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine