Compound Detail
CHEMBL4445752
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Basic Information
| ChEMBL ID | CHEMBL4445752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEIDDBILLXURAU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
4.72
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxyhypusine synthase CHEMBL4415 | IC50 | 4.0 | 4.0 | 99000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxyhypusine synthase | IC50 | = | 99000.0 | nM | 4.0 | Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS express... | 32142284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32142284 | 10.1021/acs.jmedchem.9b01979 | Deoxyhypusine synthase | 1 |
Data from ChEMBL 36 via Core Engine