Compound Detail
CHEMBL259188
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Basic Information
| ChEMBL ID | CHEMBL259188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMUVNAUPWLXPSA-LSCFUAHRSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
-0.37
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Kd 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 CHEMBL1997 | IC50 | 5.38 | 5.38 | 4168.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 | IC50 | = | 4168.69 | nM | 5.38 | Binding affinity to ENT1 transporter | 18289860 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Clostridioides difficile-specific DNA adenine methyltransferase me... | 36581322 |
| Unchecked | Kd | = | 14000.0 | nM | 4.85 | Binding affinity to Clostridioides difficile-specific DNA adenine methyltransfer... | 36581322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36581322 | 10.1021/acs.jmedchem.2c01789 | Unchecked | 5 |
| 9822549 | 10.1021/jm9802620 | Unchecked | 1 |
| 18289860 | 10.1016/j.bmc.2008.01.044 | Equilibrative nucleoside transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine