Compound Detail
CHEMBL5790948
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Cc1nn(S(C)(=O)=O)c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
Basic Information
| ChEMBL ID | CHEMBL5790948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHADQFKVFMZJKN-PZPSRYQVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
1.45
ALogP
7
HBA
1
HBD
90.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 5.1 | nM | 8.29 | DPP-IV Inhibitory Activity: 1. DPP-IV enzyme reaction buffer was prepared (50 mM... | - |
Data from ChEMBL 36 via Core Engine