Compound Detail
CHEMBL283555
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Basic Information
| ChEMBL ID | CHEMBL283555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTPIBEHXUUEJRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
504.0
MW (Da)
1.91
ALogP
7
HBA
4
HBD
156.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.68 | 7.68 | 20.8 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 7.12 | 7.12 | 76.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 20.8 | nM | 7.68 | In vitro inhibitory constant against human thrombin (FIIa). | 11934589 |
| Serine protease 1 | Ki | = | 76.5 | nM | 7.12 | In vitro inhibitory constant against trypsin | 11934589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Prothrombin | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Coagulation factor X | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Serine protease 1 | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine