Compound Detail
CHEMBL609376
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OC[C@H]1OC(n2c(N3CCCC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL609376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUACVZOIDOBZNS-FIALEDGQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
1.33
ALogP
10
HBA
3
HBD
116.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 CHEMBL1997 | Ki | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 | Ki | = | 410.0 | nM | 6.39 | Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (... | 15634027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634027 | 10.1021/jm049303k | Equilibrative nucleoside transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine