Compound Detail
CHEMBL4555677
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4555677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REBSMDZUSJUELV-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
5.40
ALogP
2
HBA
2
HBD
44.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxyhypusine synthase CHEMBL4415 | IC50 | 7.21 | 5.616 | 62.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 304.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxyhypusine synthase | IC50 | = | 62.0 | nM | 7.21 | Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS express... | 32142284 |
| Deoxyhypusine synthase | IC50 | = | 62.0 | nM | 7.21 | Displacement of [3H]spermidine trihydrochloride from N-terminal 6his tagged TEV ... | 34345355 |
| Deoxyhypusine synthase | IC50 | = | 6900.0 | nM | 5.16 | Competitive inhibition of human N-terminal His6-tagged TEV protease site linked ... | 32142284 |
| Deoxyhypusine synthase | IC50 | = | 56000.0 | nM | 4.25 | Competitive inhibition of human N-terminal His6-tagged TEV protease site linked ... | 32142284 |
| Deoxyhypusine synthase | IC50 | = | 56000.0 | nM | 4.25 | Displacement of [3H]spermidine trihydrochloride from N-terminal 6his tagged TEV ... | 34345355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32142284 | 10.1021/acs.jmedchem.9b01979 | Deoxyhypusine synthase | 3 |
| 34345355 | 10.1021/acsmedchemlett.0c00331 | Deoxyhypusine synthase | 2 |
| 34345355 | 10.1021/acsmedchemlett.0c00331 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine