Compound Detail
CHEMBL323543
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Basic Information
| ChEMBL ID | CHEMBL323543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFYBNEXJJUSLAY-RIHXGJNQSA-N |
| Parent Compound | CHEMBL337572 |
| Active Moiety | CHEMBL337572 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
1.82
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of trypsin | 9873654 |
| Prothrombin | IC50 | = | 130.0 | nM | 6.89 | Inhibition of thrombin | 9873654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873654 | 10.1016/s0960-894x(98)00531-9 | Prothrombin | 1 |
| 9873654 | 10.1016/s0960-894x(98)00531-9 | Serine protease 1 | 1 |
| 9873654 | 10.1016/s0960-894x(98)00531-9 | Chymotrypsin-C | 1 |
| 9873654 | 10.1016/s0960-894x(98)00531-9 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine