Compound Detail
CHEMBL471225
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Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(N)(=O)=O)c2)c2c1C(=O)c1ccccc1C2=O
Basic Information
| ChEMBL ID | CHEMBL471225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHSBZAWDPSTOEY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
1.68
ALogP
8
HBA
4
HBD
186.7
PSA (Ų)
0.25
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PH domain leucine-rich repeat-containing protein phosphatase 2 CHEMBL1275209 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 CHEMBL3883319 | IC50 | 5.0 | 4.5367 | 10000.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PH domain leucine-rich repeat-containing protein phosphatase 2 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli | 20836557 |
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of biotinylated Gbeta1gamma2 (unknown origin)-mediated PI3Kgamma acti... | - |
| Unchecked | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of PHLPP expressed in 24 hrs serum starved Cos7 cells assessed as inc... | 20836557 |
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown orig... | - |
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | IC50 | = | 58000.0 | nM | 4.24 | Inhibition of biotinylated Gbeta1gamma2 (unknown origin)-mediated PLCbeta3 activ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20836557 | 10.1021/jm100331d | Unchecked | 14 |
| 19223185 | 10.1016/j.bmc.2009.01.052 | Escherichia coli | 2 |
| 20836557 | 10.1021/jm100331d | PH domain leucine-rich repeat-containing protein phosphatase 2 | 2 |
| 20836557 | 10.1021/jm100331d | Protein phosphatase 1A | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 19223185 | 10.1016/j.bmc.2009.01.052 | Unchecked | 1 |
| 19223185 | 10.1016/j.bmc.2009.01.052 | Staphylococcus aureus | 1 |
| 20836557 | 10.1021/jm100331d | Serine/threonine protein phosphatase PP2B-alpha catalytic subunit | 1 |
| 20836557 | 10.1021/jm100331d | COS-7 | 1 |
| 22480197 | 10.1021/jm2007694 | Nucleic Acid | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine