Compound Detail
CHEMBL3912774
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Basic Information
| ChEMBL ID | CHEMBL3912774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTCBVCMEJTUCSW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
5.07
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease hepsin CHEMBL2079849 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| Trypsin CHEMBL2366 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease hepsin | IC50 | = | 980.0 | nM | 6.01 | High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... | - |
| Trypsin | IC50 | = | 10200.0 | nM | 4.99 | High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... | - |
Data from ChEMBL 36 via Core Engine