Compound Detail
CHEMBL3093902
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3093902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKYVWDSJKVMXJP-AVGNSLFASA-N |
5
Targets
6
Activities
1
Assay Types
17
PK Parameters
11
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
1.02
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.77 | 7.77 | 17.0 | 2 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 5.82 | 5.82 | 1530.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.84 | 4.84 | 14520.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.7 | 4.7 | 19790.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.65 | 4.65 | 22510.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2083.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 458.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2082.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 455.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 6684054.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 7339917.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 4661592.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 4619784.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 4538781.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 5139771.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 1691.54 | nM | Rattus norvegicus |
| F | 21.8 | % | Rattus norvegicus |
| F | 21.8 | % | Mus musculus |
| T1/2 | 5.4 | hr | Rattus norvegicus |
| T1/2 | 5.4 | hr | Rattus norvegicus |
| T1/2 | 5.4 | hr | Mus musculus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of 6xHis-tagged recombinant human DPP4 expressed in baculovirus expre... | 24153396 |
| Dipeptidyl peptidase 4 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of DPP-4 (unknown origin) | 34428715 |
| Prolyl endopeptidase FAP | IC50 | = | 1530.0 | nM | 5.82 | Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculov... | 24153396 |
| Dipeptidyl peptidase 2 | IC50 | = | 14520.0 | nM | 4.84 | Inhibition of 6xHis-tagged recombinant DPP7 (unknown origin) expressed in baculo... | 24153396 |
| Dipeptidyl peptidase 9 | IC50 | = | 19790.0 | nM | 4.7 | Inhibition of 6xHis-tagged recombinant DPP9 (unknown origin) expressed in baculo... | 24153396 |
| Dipeptidyl peptidase 8 | IC50 | = | 22510.0 | nM | 4.65 | Inhibition of 6xHis-tagged recombinant DPP8 (unknown origin) expressed in baculo... | 24153396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24153396 | 10.1016/j.bmc.2013.09.048 | Mus musculus | 34 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Rattus norvegicus | 9 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Mus musculus | 6 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Unchecked | 2 |
| 34428715 | 10.1016/j.bmc.2021.116354 | ADMET | 2 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Prolyl endopeptidase FAP | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 2 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 9 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 4 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 8 | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine