Compound Detail
CHEMBL493543
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Basic Information
| ChEMBL ID | CHEMBL493543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHHYZDAZOXJYIO-HOTGVXAUSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.15
ALogP
4
HBA
1
HBD
90.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of DPP4 | 19269819 |
| Dipeptidyl peptidase 4 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of DPP-4 (unknown origin) | 34428715 |
| Dipeptidyl peptidase 8 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of DPP8 | 19269819 |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of FAP | 19269819 |
| Dipeptidyl peptidase 2 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of DPP2 | 19269819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19269819 | 10.1016/j.bmcl.2009.02.061 | Dipeptidyl peptidase 4 | 1 |
| 19269819 | 10.1016/j.bmcl.2009.02.061 | Dipeptidyl peptidase 8 | 1 |
| 19269819 | 10.1016/j.bmcl.2009.02.061 | Dipeptidyl peptidase 2 | 1 |
| 19269819 | 10.1016/j.bmcl.2009.02.061 | Unchecked | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine