Compound Detail
CHEMBL182365
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Basic Information
| ChEMBL ID | CHEMBL182365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYDUYPDIFUSMDX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
1.14
ALogP
10
HBA
2
HBD
117.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Ki 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 CHEMBL1997 | Ki | 6.49 | 6.49 | 325.2 | 1 |
| Equilibrative nucleoside transporter 1 CHEMBL1997 | IC50 | 5.24 | 5.24 | 5746.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 | Ki | = | 325.2 | nM | 6.49 | Inhibition of ENT1 in human K562 cells by flow cytometric assay | 17636949 |
| Equilibrative nucleoside transporter 1 | IC50 | = | 5746.0 | nM | 5.24 | Inhibition of ENT1 in human K562 cells by flow cytometric assay | 17636949 |
| L1210 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of [3H]thymidine uptake in L1210 cells | 15369395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369395 | 10.1021/jm040772w | L1210 | 3 |
| 17636949 | 10.1021/jm070311l | Equilibrative nucleoside transporter 1 | 3 |
Data from ChEMBL 36 via Core Engine