Compound Detail
CHEMBL5631075
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
O=C(Nc1ccc(/C=C2\SC(=O)N(C(=O)CN3CCn4c(nnc4C(F)(F)F)C3)C2=O)cc1)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL5631075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDZYFEVAERDXIL-IDUWFGFVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
604.5
MW (Da)
2.74
ALogP
12
HBA
4
HBD
178.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
| Alpha amylase CHEMBL6066863 | IC50 | 6.54 | 6.54 | 287.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.36 | 6.36 | 437.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 67.0 | nM | 7.17 | Inhibition of human DPP4 using Gly-Pro-NA as substrate incubated for 30 mins by ... | 37393789 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 199.0 | nM | 6.7 | Inhibition of PTP1B (unknown origin) using p-NPP as substrate incubated for 30 m... | 37393789 |
| Alpha amylase | IC50 | = | 287.0 | nM | 6.54 | Inhibition of alpha-amylase (unknown origin) using starch as substrate preincuba... | 37393789 |
| Unchecked | IC50 | = | 437.0 | nM | 6.36 | 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 | Rattus norvegicus | 27 |
| 37393789 | 10.1016/j.ejmech.2023.115591 | ADMET | 2 |
| 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 |
| 37393789 | 10.1016/j.ejmech.2023.115591 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine