Compound Detail
CHEMBL403882
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Basic Information
| ChEMBL ID | CHEMBL403882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDLWINONZUFKQV-QMMMGPOBSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
0.36
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.01
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.01 | 4.8675 | 9700.0 | 4 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 2100.0 | nM | 5.68 | In vitro test for inhibitory activity against human dipeptidyl peptidase IV. | - |
| Dipeptidyl peptidase 4 | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of human DPP4 | 18039579 |
| Dipeptidyl peptidase 4 | IC50 | = | 15000.0 | nM | 4.82 | In vitro inhibition of human Dipeptidylpeptidase IV. | 12270155 |
| Dipeptidyl peptidase 4 | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) | 14584950 |
| Dipeptidyl peptidase 4 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of DPP4 | 18556199 |
| Dipeptidyl peptidase 8 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of DPP8 | 18556199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18039579 | 10.1016/j.bmc.2007.11.031 | Dipeptidyl peptidase 4 | 3 |
| 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