Compound Detail
CHEMBL200959
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Basic Information
| ChEMBL ID | CHEMBL200959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGWYOZDRMOQPLX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
1.55
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.28 | 7.28 | 53.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 1400.0 | nM | Canis lupus familiaris |
| T1/2 | 2.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 53.0 | nM | 7.28 | Binding affinity to thrombin | 16257203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16257203 | 10.1016/j.bmcl.2005.09.083 | Canis familiaris | 2 |
| 16257203 | 10.1016/j.bmcl.2005.09.083 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine