Compound Detail
CHEMBL1082707
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N#C[C@@H]1CCCN1C(=O)CN[C@@H]1C[C@@H]2CN(C(=O)N3CCCC3)C[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL1082707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHGKXRILHNJUHW-YVSFHVDLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
1.02
ALogP
4
HBA
1
HBD
79.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of DPP4 | 20488702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 4 | 1 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 8 | 1 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine