Compound Detail
CHEMBL47486
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Basic Information
| ChEMBL ID | CHEMBL47486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGTLTHLKZHQFMU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
5.86
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 1300.0 | nM | 5.89 | Compound was evaluated for its inhibitory activity against human thrombin | 9873418 |
| Serine protease 1 | Ki | = | 77000.0 | nM | 4.11 | Compound was evaluated for its inhibitory activity against trypsin | 9873418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873418 | 10.1016/s0960-894x(98)00296-0 | Prothrombin | 1 |
| 9873418 | 10.1016/s0960-894x(98)00296-0 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine