Compound Detail
CHEMBL5266197
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Basic Information
| ChEMBL ID | CHEMBL5266197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYXSQTCNDFEYSX-JDXSOMNQSA-N |
| Parent Compound | CHEMBL5315665 |
| Active Moiety | CHEMBL5315665 |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
2.58
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 57.0 | % | Rattus norvegicus |
| F | 91.0 | % | Canis lupus familiaris |
| F | 87.0 | % | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 4.3 | nM | 8.37 | Inhibition of DPP-4 (unknown origin) | 34428715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34428715 | 10.1016/j.bmc.2021.116354 | ADMET | 3 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine