Compound Detail
CHEMBL443622
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Basic Information
| ChEMBL ID | CHEMBL443622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVBVTDXOGUNDHC-LURJTMIESA-N |
1
Targets
8
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
142.2
MW (Da)
-0.04
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.39
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.39 | 4.39 | 41000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 7000.0 | nM | 5.16 | In vitro test for inhibitory activity against human dipeptidyl peptidase IV. | - |
| Dipeptidyl peptidase 4 | IC50 | = | 41000.0 | nM | 4.39 | In vitro inhibition of human Dipeptidylpeptidase IV. | 12270155 |
| Dipeptidyl peptidase 4 | IC50 | = | 41000.0 | nM | 4.39 | Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) | 14584950 |
| Dipeptidyl peptidase 4 | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of DPP4 | 18556199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 4 | 2 |
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase 2 | 1 |
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase 4 | 1 |
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | 1 |
| - | 10.1016/0960-894X(96)00190-4 | Dipeptidyl peptidase 4 | 1 |
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 2 | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine