Compound Detail
CHEMBL5289984
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CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cn(C/C=C/C(=O)O)nn2)c1=O
Basic Information
| ChEMBL ID | CHEMBL5289984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDYFFDPMFVTJCH-KEDPEKRHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
-0.76
ALogP
10
HBA
2
HBD
141.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 9.56 | nM | 8.02 | Inhibition of human recombinant DPP-4 using (H-Gly-Pro-AMC as substrate | 34428715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine