Compound Detail
CHEMBL440021
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Basic Information
| ChEMBL ID | CHEMBL440021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUSVSQMWKFICCC-HNNXBMFYSA-N |
4
Targets
11
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
2.44
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 7.62 | 6.46 | 24.0 | 2 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.78 | 4.78 | 16520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 24.0 | nM | 7.62 | Inhibitory concentration against dipeptidylpeptidase 8 | 15664838 |
| Dipeptidyl peptidase 9 | IC50 | = | 4600.0 | nM | 5.34 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 8 | IC50 | = | 5000.0 | nM | 5.3 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory concentration against dipeptidylpeptidase IV | 15664838 |
| Dipeptidyl peptidase 2 | IC50 | = | 16520.0 | nM | 4.78 | Inhibitory concentration against dipeptidylpeptidase 2 | 15664838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 4 | 1 |
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 8 | 1 |
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine