Compound Detail
CHEMBL4640183
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N[C@H]1C[C@@H](N2Cc3c[nH]nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F
Basic Information
| ChEMBL ID | CHEMBL4640183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKDUABUTWWOKDW-XZDPQHSOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
2.79
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.74 | 7.74 | 18.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 18.2 | nM | 7.74 | Inhibition of human recombinant DPP4 incubated for 15 mins using Gly-Pro-7-AMC s... | 32452679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32452679 | 10.1021/acs.jmedchem.0c00374 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine