Compound Detail
CHEMBL100672
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Basic Information
| ChEMBL ID | CHEMBL100672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWRICQDSYZBXSH-HLTSFMKQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
1.90
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-C CHEMBL2386 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Serine protease 1 CHEMBL209 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-C | IC50 | = | 37.0 | nM | 7.43 | Compound was evaluated for the inhibition of Chymotrypsinogen | 9873654 |
| Serine protease 1 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of trypsin | 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