Compound Detail
CHEMBL1085269
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Basic Information
| ChEMBL ID | CHEMBL1085269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRAWVUJRLDASDM-XGUBFFRZSA-N |
3
Targets
4
Activities
1
Assay Types
7
PK Parameters
7
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
0.48
ALogP
4
HBA
1
HBD
79.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.76 | 4.76 | 17380.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 68.7 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 39.7 | ng.hr.mL-1 | Mus musculus |
| AUC | 42.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 45.0 | ng.hr.mL-1 | Mus musculus |
| CL | 190.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 118.16 | nM | Rattus norvegicus |
| T1/2 | 0.94 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of DPP4 | 20488702 |
| Dipeptidyl peptidase 4 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of DPP-4 (unknown origin) | 34428715 |
| Dipeptidyl peptidase 9 | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of DPP9 | 20488702 |
| Dipeptidyl peptidase 8 | IC50 | = | 17380.0 | nM | 4.76 | Inhibition of DPP8 | 20488702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Rattus norvegicus | 4 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Mus musculus | 3 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Cynomolgus monkey | 1 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 4 | 1 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 8 | 1 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 9 | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine