Compound Detail
CHEMBL3353076
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Basic Information
| ChEMBL ID | CHEMBL3353076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCGPTBYKBNJRTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
3.47
ALogP
7
HBA
0
HBD
60.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 CHEMBL1997 | IC50 | 6.66 | 6.66 | 217.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 | IC50 | = | 217.0 | nM | 6.66 | Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-... | 25454272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25454272 | 10.1016/j.bmcl.2014.10.026 | Equilibrative nucleoside transporter 1 | 1 |
| 25454272 | 10.1016/j.bmcl.2014.10.026 | Equilibrative nucleoside transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine