Compound Detail
CHEMBL5763347
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N[C@H]1C[C@@H](N2Cc3ccc(S(N)(=O)=O)cc3C2)CO[C@@H]1c1cc(F)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5763347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZSDABWNORZLEO-MDASCCDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
1.79
ALogP
5
HBA
2
HBD
98.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 3.8 | nM | 8.42 | DPP-IV Inhibitory Activity: 1. DPP-IV enzyme reaction buffer was prepared (50 mM... | - |
Data from ChEMBL 36 via Core Engine