Compound Detail
CHEMBL2408655
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Basic Information
| ChEMBL ID | CHEMBL2408655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTYSSIDCUNJPJL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
1.54
ALogP
9
HBA
1
HBD
94.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL3813 | IC50 | 9.0 | 8.9 | 1.0 | 2 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.05 | 8.005 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of porcine DPP4 | 24900744 |
| Dipeptidyl peptidase 4 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assa... | 24900744 |
| Dipeptidyl peptidase 4 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human DPP4 | 24900744 |
| Dipeptidyl peptidase 4 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay | 24900744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900744 | 10.1021/ml400171b | Dipeptidyl peptidase 4 | 6 |
Data from ChEMBL 36 via Core Engine