Compound Detail
CHEMBL2338685
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Basic Information
| ChEMBL ID | CHEMBL2338685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBTRXBIYOPQVBZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
6.10
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transmembrane protease serine 4 CHEMBL2331048 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transmembrane protease serine 4 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of N-terminal His6-tagged recombinant TMPRSS4 (unknown origin) fused ... | 23414802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23414802 | 10.1016/j.bmcl.2013.01.055 | Transmembrane protease serine 4 | 2 |
| 23414802 | 10.1016/j.bmcl.2013.01.055 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine