Compound Detail
CHEMBL502153
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Basic Information
| ChEMBL ID | CHEMBL502153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMZVCOZOFNZWBM-RNCFNFMXSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
2.04
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 7.16 | 6.245 | 70.0 | 2 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.8 | 6.045 | 160.0 | 2 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.67 | 4.67 | 21500.0 | 1 |
| Dipeptidyl peptidase 8/9 CHEMBL3885564 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of DPP9 | 18556198 |
| Dipeptidyl peptidase 8 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of DPP8 | 18556198 |
| Dipeptidyl peptidase 9 | IC50 | = | 4700.0 | nM | 5.33 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 8 | IC50 | = | 5100.0 | nM | 5.29 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 2 | IC50 | = | 21500.0 | nM | 4.67 | Inhibition of DPP2 | 18556198 |
| Dipeptidyl peptidase 8/9 | IC50 | = | 58000.0 | nM | 4.24 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556198 | 10.1016/j.bmcl.2008.05.079 | Dipeptidyl peptidase 8 | 1 |
| 18556198 | 10.1016/j.bmcl.2008.05.079 | Dipeptidyl peptidase 9 | 1 |
| 18556198 | 10.1016/j.bmcl.2008.05.079 | Dipeptidyl peptidase 4 | 1 |
| 18556198 | 10.1016/j.bmcl.2008.05.079 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine