Compound Detail
CHEMBL5882513
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C[C@H](NC(=O)c1cn2c(c(O)c1=O)C(=O)N1[C@@H]3CC[C@@H](C3)O[C@H]1C2)c1ccc(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL5882513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZQGBUQIMZZLDE-IMODNSLOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
2.06
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 6.21 | 6.21 | 610.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 2 | IC50 | = | 610.0 | nM | 6.21 | Inhibition Assay: The dose dependent inhibition of OCT2 mediated uptake of a mod... | - |
| Solute carrier family 22 member 2 | IC50 | = | 610.0 | nM | 6.21 | Inhibition Assay: Test compounds were serially diluted in DMSO and then spiked (... | - |
| Solute carrier family 22 member 2 | IC50 | = | 610.0 | nM | 6.21 | OCT2 Inhibition Assay: The dose dependent inhibition of OCT2 mediated uptake of ... | - |
Data from ChEMBL 36 via Core Engine