Compound Detail
CHEMBL6028518
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Cc1ccc(F)c([C@@H](C)[C@H](NS(=O)(=O)c2ccc(F)c3c2OCC[C@H]3O)c2n[nH]c(=O)o2)c1C
Basic Information
| ChEMBL ID | CHEMBL6028518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDXBARFJUKBPBJ-PEELUZDISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
2.90
ALogP
7
HBA
3
HBD
134.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptors; M1 & M2 CHEMBL2095219 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Ribonucleotide reductase CHEMBL3301398 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptors; M1 & M2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition Effect: First, test compounds were serially diluted with DMSO. Next, ... | - |
| Ribonucleotide reductase | IC50 | = | 50.0 | nM | 7.3 | Human RNR Inhibition Effect: The inhibitory activity against the ribonucleotide ... | - |
Data from ChEMBL 36 via Core Engine