Compound Detail
CHEMBL1683121
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Basic Information
| ChEMBL ID | CHEMBL1683121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBQPVRNOIUERMB-BCXHYRKLSA-N |
3
Targets
3
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
2.59
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 201.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 24.0 | nM | Rattus norvegicus |
| F | 24.0 | % | Rattus norvegicus |
| T1/2 | 2.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of DPP4 | 21320777 |
| Dipeptidyl peptidase 2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of QPP | 21320777 |
| Dipeptidyl peptidase 9 | IC50 | = | 77000.0 | nM | 4.11 | Inhibition of DPP9 | 21320777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21320777 | 10.1016/j.bmcl.2010.12.060 | Rattus norvegicus | 4 |
| 21320777 | 10.1016/j.bmcl.2010.12.060 | Unchecked | 2 |
| 21320777 | 10.1016/j.bmcl.2010.12.060 | Dipeptidyl peptidase 4 | 1 |
| 21320777 | 10.1016/j.bmcl.2010.12.060 | Dipeptidyl peptidase 2 | 1 |
| 21320777 | 10.1016/j.bmcl.2010.12.060 | Dipeptidyl peptidase 8 | 1 |
| 21320777 | 10.1016/j.bmcl.2010.12.060 | Dipeptidyl peptidase 9 | 1 |
| 21320777 | 10.1016/j.bmcl.2010.12.060 | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine