Compound Detail
CHEMBL5797621
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Cc1c(Br)ccc(F)c1[C@@H](C)[C@H](NS(=O)(=O)c1ccc(F)c2c1OCCC2(C)O)c1n[nH]c(=O)o1
Basic Information
| ChEMBL ID | CHEMBL5797621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDACFKYOBJLCPQ-BDQNRJTFSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
574.4
MW (Da)
3.53
ALogP
7
HBA
3
HBD
134.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribonucleotide reductase CHEMBL3301398 | IC50 | 7.3 | 7.1 | 50.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribonucleotide reductase | IC50 | = | 50.0 | nM | 7.3 | Human RNR Inhibition Effect: The inhibitory activity against the ribonucleotide ... | - |
| Ribonucleotide reductase | IC50 | = | 90.0 | nM | 7.05 | Human RNR Inhibition Effect: The inhibitory activity against the ribonucleotide ... | - |
| Ribonucleotide reductase | IC50 | = | 90.0 | nM | 7.05 | Human RNR Inhibition Effect: The inhibitory activity against the ribonucleotide ... | - |
| Ribonucleotide reductase | IC50 | = | 100.0 | nM | 7.0 | Human RNR Inhibition Effect: The inhibitory activity against the ribonucleotide ... | - |
Data from ChEMBL 36 via Core Engine