Compound Detail
CHEMBL3910262
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CS(=O)(=O)c1cccc(-c2ccc3ccc4c(c3c2)C[C@@H](N)[C@H](c2cc(F)c(F)cc2F)O4)c1
Basic Information
| ChEMBL ID | CHEMBL3910262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZBRMSHNICRXNH-RSXGOPAZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
5.33
ALogP
4
HBA
1
HBD
69.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.84 | 7.84 | 14.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 14.6 | nM | 7.84 | Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC sub... | 27396490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27396490 | 10.1021/acs.jmedchem.6b00505 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine