Compound Detail
CHEMBL5176142
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Basic Information
| ChEMBL ID | CHEMBL5176142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQLLFVDNKTWAND-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
4.63
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.57
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO-K1 CHEMBL614031 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO-K1 | EC50 | = | 27000.0 | nM | 4.57 | Inhibition of polyamine uptake in chinese hamster CHO-K1 cells assessed as rescu... | 36382923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36382923 | 10.1021/acs.jmedchem.2c01350 | L3.6pl | 3 |
| 36382923 | 10.1021/acs.jmedchem.2c01350 | CHO-K1 | 2 |
| 36382923 | 10.1021/acs.jmedchem.2c01350 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine