Compound Detail
CHEMBL2408771
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CC(C)=CCn1c(N2CC3CCCNC3C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL2408771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QACNBVKYHZLWBU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
1.93
ALogP
9
HBA
1
HBD
94.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL3813 | IC50 | 10.32 | 9.945 | 0.0 | 2 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.048 | nM | 10.32 | Inhibition of porcine DPP4 | 24900744 |
| Dipeptidyl peptidase 4 | IC50 | = | 0.269 | nM | 9.57 | Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assa... | 24900744 |
| Dipeptidyl peptidase 4 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay | 24900744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900744 | 10.1021/ml400171b | Dipeptidyl peptidase 4 | 5 |
Data from ChEMBL 36 via Core Engine