Compound Detail
CHEMBL3216065
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Basic Information
| ChEMBL ID | CHEMBL3216065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCBPXVHHBDCRAX-KBVFCZPLSA-N |
| Parent Compound | CHEMBL1851910 |
| Active Moiety | CHEMBL1851910 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.21
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-n... | 21711053 |
| Dipeptidyl peptidase 8 | IC50 | = | 15900.0 | nM | 4.8 | Inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nit... | 21711053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 8 | 1 |
| 21711053 | 10.1021/jm200383j | Unchecked | 1 |
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 4 | 1 |
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine