Compound Detail
CHEMBL5630847
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CS(=O)(=O)N1CCN(CC(=O)N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL5630847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKEOQAIKUKILIZ-UVTDQMKNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
0.73
ALogP
9
HBA
0
HBD
138.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.03 | 5.03 | 9370.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.79 | 4.79 | 16210.0 | 1 |
| Alpha amylase CHEMBL6066863 | IC50 | 4.53 | 4.53 | 29440.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.36 | 4.36 | 43840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 9370.0 | nM | 5.03 | Inhibition of PTP1B (unknown origin) using p-NPP as substrate incubated for 30 m... | 37393789 |
| Dipeptidyl peptidase 4 | IC50 | = | 16210.0 | nM | 4.79 | Inhibition of human DPP4 using Gly-Pro-NA as substrate incubated for 30 mins by ... | 37393789 |
| Alpha amylase | IC50 | = | 29440.0 | nM | 4.53 | Inhibition of alpha-amylase (unknown origin) using starch as substrate preincuba... | 37393789 |
| Unchecked | IC50 | = | 43840.0 | nM | 4.36 | Inhibition of alpha-glucosidase (unknown origin) using P-NPG as substrate preinc... | 37393789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37393789 | 10.1016/j.ejmech.2023.115591 | Dipeptidyl peptidase 4 | 1 |
| 37393789 | 10.1016/j.ejmech.2023.115591 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 37393789 | 10.1016/j.ejmech.2023.115591 | Alpha amylase | 1 |
| 37393789 | 10.1016/j.ejmech.2023.115591 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine