Compound Detail
CHEMBL323544
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Basic Information
| ChEMBL ID | CHEMBL323544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTIRJMFRVXVRQH-GMSSCWEGSA-N |
| Parent Compound | CHEMBL1183897 |
| Active Moiety | CHEMBL1183897 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
1.85
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | IC50 | 4.15 | 4.15 | 70300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of trypsin | 9873654 |
| Prothrombin | IC50 | = | 16800.0 | nM | 4.78 | Inhibition of thrombin | 9873654 |
| Chymotrypsin-C | IC50 | = | 70300.0 | nM | 4.15 | Compound was evaluated for the inhibition of Chymotrypsinogen | 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 |
Data from ChEMBL 36 via Core Engine