Compound Detail
CHEMBL5274333
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Basic Information
| ChEMBL ID | CHEMBL5274333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFQSGUURGVJNCH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.51
ALogP
4
HBA
1
HBD
59.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxyhypusine synthase CHEMBL4415 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxyhypusine synthase | IC50 | = | 18.0 | nM | 7.75 | Displacement of [3H]spermidine trihydrochloride from N-terminal 6his tagged TEV ... | 34345355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34345355 | 10.1021/acsmedchemlett.0c00331 | Deoxyhypusine synthase | 1 |
Data from ChEMBL 36 via Core Engine