Compound Detail
CHEMBL5277490
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C#CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL5277490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPGAZJDABUDYDU-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
0.76
ALogP
10
HBA
1
HBD
116.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.88 | 8.88 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1.33 | nM | 8.88 | Inhibition of DPP-4 (unknown origin) | 34428715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 2 |
Data from ChEMBL 36 via Core Engine