Compound Detail
CHEMBL363319
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Basic Information
| ChEMBL ID | CHEMBL363319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INUDFZPOCPXRIM-SECBINFHSA-N |
2
Targets
5
Activities
1
Assay Types
8
PK Parameters
7
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
1.90
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.92 | 6.92 | 119.0 | 3 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.6 | 4.6 | 25000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 120.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 120.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 3.0 | % | Rattus norvegicus |
| F | 3.0 | % | Rattus norvegicus |
| F | 3.0 | % | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| T1/2 | 1.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 119.0 | nM | 6.92 | Inhibitory concentration against Dipeptidyl peptidase IV | 15324903 |
| Dipeptidyl peptidase 4 | IC50 | = | 119.0 | nM | 6.92 | Inhibition of DPP4 | 17337342 |
| Dipeptidyl peptidase 4 | IC50 | = | 119.0 | nM | 6.92 | Inhibition of DPP-4 (unknown origin) | 37647598 |
| Dipeptidyl peptidase 2 | IC50 | = | 25380.0 | nM | 4.6 | Inhibitory concentration against quiescent cell proline dipeptidase | 15324903 |
| Dipeptidyl peptidase 2 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of DPP-2 (unknown origin) | 37647598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324903 | 10.1016/j.bmcl.2004.06.099 | ADMET | 6 |
| 37647598 | 10.1021/acs.jmedchem.3c00412 | ADMET | 2 |
| 15324903 | 10.1016/j.bmcl.2004.06.099 | Dipeptidyl peptidase 4 | 1 |
| 15324903 | 10.1016/j.bmcl.2004.06.099 | Dipeptidyl peptidase 2 | 1 |
| 17337342 | 10.1016/j.bmcl.2007.02.040 | Dipeptidyl peptidase 4 | 1 |
| 37647598 | 10.1021/acs.jmedchem.3c00412 | Dipeptidyl peptidase 4 | 1 |
| 37647598 | 10.1021/acs.jmedchem.3c00412 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine