Compound Detail
CHEMBL167755
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Basic Information
| ChEMBL ID | CHEMBL167755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQIXYJHDVUQRCS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
1.75
ALogP
7
HBA
3
HBD
117.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.18 | 8.18 | 6.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3798.98 | ng.hr.mL-1 | Canis lupus familiaris |
| Cmax | 2100.0 | nM | Canis lupus familiaris |
| T1/2 | 2.42 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 6.6 | nM | 8.18 | Inhibition of Thrombin | 12617893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617893 | 10.1016/s0960-894x(03)00017-9 | Canis familiaris | 3 |
| 12617893 | 10.1016/s0960-894x(03)00017-9 | Prothrombin | 1 |
| 12617893 | 10.1016/s0960-894x(03)00017-9 | Serine protease 1 | 1 |
| 12617893 | 10.1016/s0960-894x(03)00017-9 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine