Compound Detail
CHEMBL5072102
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Basic Information
| ChEMBL ID | CHEMBL5072102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSIOMCDXMIYZNN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.7
MW (Da)
4.94
ALogP
5
HBA
1
HBD
70.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 4.61 | 4.61 | 24600.0 | 1 |
| Deoxyhypusine synthase CHEMBL4415 | IC50 | 4.45 | 4.45 | 35790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 24600.0 | nM | 4.61 | Cytotoxicity against mouse B16 cells assessed as reduction in cell viability inc... | 34473510 |
| Deoxyhypusine synthase | IC50 | = | 35790.0 | nM | 4.45 | Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assa... | 34473510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34473510 | 10.1021/acs.jmedchem.1c00582 | Deoxyhypusine synthase | 1 |
| 34473510 | 10.1021/acs.jmedchem.1c00582 | B16 | 1 |
| 34473510 | 10.1021/acs.jmedchem.1c00582 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine