Compound Detail
CHEMBL3798777
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Basic Information
| ChEMBL ID | CHEMBL3798777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVPPYZMFADGIRV-FAPGMENUSA-N |
| Parent Compound | CHEMBL3800719 |
| Active Moiety | CHEMBL3800719 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
198.3
MW (Da)
1.23
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of full length human DPP8 expressed in baculovirus infected sf9 cells... | - |
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of bovine testes DPP9 using Ala-Pro-p-nitroanilide as substrate prein... | - |
| Dipeptidyl peptidase 2 | IC50 | = | 12900.0 | nM | 4.89 | Inhibition of DPP2 in human seminal plasma using Lys-Ala-p-nitroanilide as subst... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 16200.0 | nM | 4.79 | Inhibition of DPP4 in human seminal plasma using Gly-Pro-p-nitroanilide as subst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00454C | Unchecked | 2 |
| - | 10.1039/C5MD00454C | Dipeptidyl peptidase 8 | 1 |
| - | 10.1039/C5MD00454C | Dipeptidyl peptidase 4 | 1 |
| - | 10.1039/C5MD00454C | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine