Compound Detail
CHEMBL471547
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Basic Information
| ChEMBL ID | CHEMBL471547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZBJOAGVNBRVQF-KATARQTJSA-N |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
1.16
ALogP
4
HBA
1
HBD
118.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 7.96 | 7.96 | 11.0 | 2 |
| Dipeptidyl peptidase IV CHEMBL4295559 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.54 | 6.54 | 290.0 | 2 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.62 | 4.62 | 24000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 | IC50 | = | 6.3 | nM | 8.2 | Inhibition of DPP9 | 18556199 |
| Unchecked | IC50 | = | 6.3 | nM | 8.2 | Inhibition of bovine testes DPP9 using Ala-Pro-p-nitroanilide as substrate prein... | - |
| Dipeptidyl peptidase 8 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of DPP8 | 18556199 |
| Dipeptidyl peptidase 8 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of full length human DPP8 expressed in baculovirus infected sf9 cells... | - |
| Dipeptidyl peptidase IV | IC50 | = | 230.0 | nM | 6.64 | Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in E... | 28826083 |
| Dipeptidyl peptidase 4 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of DPP4 | 18556199 |
| Dipeptidyl peptidase 4 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of DPP4 in human seminal plasma using Gly-Pro-p-nitroanilide as subst... | - |
| Dipeptidyl peptidase 2 | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of DPP2 | 18556199 |
| Dipeptidyl peptidase 2 | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of DPP2 in human seminal plasma using Lys-Ala-p-nitroanilide as subst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Unchecked | 4 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Dipeptidyl peptidase IV | 4 |
| - | 10.1039/C5MD00454C | Unchecked | 2 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 8 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 9 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 4 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 2 | 1 |
| - | 10.1039/C5MD00454C | Dipeptidyl peptidase 8 | 1 |
| - | 10.1039/C5MD00454C | Dipeptidyl peptidase 4 | 1 |
| - | 10.1039/C5MD00454C | Dipeptidyl peptidase 2 | 1 |
| - | 10.1039/C5MD00454C | Prolyl endopeptidase FAP | 1 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine