Compound Detail
CHEMBL1683124
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Basic Information
| ChEMBL ID | CHEMBL1683124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZDLVPSWMDBGSX-SRCQZFHVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
4.33
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of DPP4 | 21320777 |
| Dipeptidyl peptidase 2 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of QPP | 21320777 |
| Dipeptidyl peptidase 9 | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of DPP9 | 21320777 |
| Dipeptidyl peptidase 8 | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of DPP8 | 21320777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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