Compound Detail
CHEMBL3928885
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COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1nc(C2CC2)cs1
Basic Information
| ChEMBL ID | CHEMBL3928885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIEOVQPCPBMOSJ-SFTDATJTSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
3.60
ALogP
7
HBA
4
HBD
146.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase beta CHEMBL2706 | IC50 | 11.0 | 11.0 | 0.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein phosphatase beta | IC50 | = | 0.01 | nM | 11.0 | Inhibition of recombinant HPTPbeta (unknown origin) preincubated for 10 mins fol... | - |
| Receptor-type tyrosine-protein phosphatase beta | IC50 | = | 0.01 | nM | 11.0 | HPTP Assay: HPTP-β inhibition can be tested by any method chosen by the formulat... | - |
| Receptor-type tyrosine-protein phosphatase beta | IC50 | = | 0.01 | nM | 11.0 | Inhibitory Activity Assay: Non-limiting examples of the HPTP-β IC50 (μM) activit... | - |
| Receptor-type tyrosine-protein phosphatase beta | IC50 | = | 0.01 | nM | 11.0 | Inhibitory Activity Assay: Non-limiting examples of the HPTPβ IC50 (μM) activity... | - |
| Receptor-type tyrosine-protein phosphatase beta | IC50 | = | 0.01 | nM | 11.0 | Inhibitory Activity to HPTP-β: Non-limiting examples of the HPTP-β IC50(μM) acti... | - |
Data from ChEMBL 36 via Core Engine