Compound Detail
CHEMBL488047
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N[C@@H](CCCCN(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL488047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCOGZLWJDIEVOA-XIFFEERXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
499.7
MW (Da)
7.17
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 6.38 | 6.38 | 416.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.32 | 6.32 | 479.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.43 | 5.43 | 3670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 416.0 | nM | 6.38 | Inhibition of DPP2 | 18556198 |
| Dipeptidyl peptidase 8 | IC50 | = | 479.0 | nM | 6.32 | Inhibition of DPP8 | 18556198 |
| Dipeptidyl peptidase 9 | IC50 | = | 3670.0 | nM | 5.43 | Inhibition of DPP9 | 18556198 |
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