Compound Detail
CHEMBL201268
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Basic Information
| ChEMBL ID | CHEMBL201268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDVBKYKVTWRKIY-STQMWFEESA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.07
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.57
Ki 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.07 | 4.07 | 84430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 27.0 | nM | 7.57 | Inhibition of 6xHis-tagged recombinant human DPP4 expressed in baculovirus expre... | 24153396 |
| Dipeptidyl peptidase 4 | Ki | = | 63.0 | nM | 7.2 | Inhibition of human DPP4 | 16236500 |
| Dipeptidyl peptidase 8 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of 6xHis-tagged recombinant DPP8 (unknown origin) expressed in baculo... | 24153396 |
| Dipeptidyl peptidase 9 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of 6xHis-tagged recombinant DPP9 (unknown origin) expressed in baculo... | 24153396 |
| Dipeptidyl peptidase 2 | IC50 | = | 84430.0 | nM | 4.07 | Inhibition of 6xHis-tagged recombinant DPP7 (unknown origin) expressed in baculo... | 24153396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24153396 | 10.1016/j.bmc.2013.09.048 | Unchecked | 2 |
| 16236500 | 10.1016/j.bmcl.2005.09.037 | Dipeptidyl peptidase 4 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 9 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 8 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 2 | 1 |
| 24153396 | 10.1016/j.bmc.2013.09.048 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine