Compound Detail
CHEMBL4554062
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Basic Information
| ChEMBL ID | CHEMBL4554062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKHIEGJSYLDUJA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
1.13
ALogP
8
HBA
1
HBD
102.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.43 | 4.43 | 37200.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.16 | 4.16 | 68510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 37200.0 | nM | 4.43 | Metal chelating activity assessed as inhibition of Cu2+ ion-induced oxidation of... | 31683103 |
| Dipeptidyl peptidase 4 | IC50 | = | 68510.0 | nM | 4.16 | Inhibition of DPP4 in human serum assessed as decrease in p-nitroaniline formati... | 31683103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31683103 | 10.1016/j.ejmech.2019.111808 | NON-PROTEIN TARGET | 3 |
| 31683103 | 10.1016/j.ejmech.2019.111808 | Dipeptidyl peptidase 4 | 2 |
| 31683103 | 10.1016/j.ejmech.2019.111808 | No relevant target | 1 |
| 31683103 | 10.1016/j.ejmech.2019.111808 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine