Compound Detail
CHEMBL148955
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Basic Information
| ChEMBL ID | CHEMBL148955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIOCYLDAIBUSNI-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
-0.02
ALogP
4
HBA
2
HBD
72.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
| Dipeptidyl peptidase IV CHEMBL4295559 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II) | 14584950 |
| Dipeptidyl peptidase 2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II) | 14584950 |
| Dipeptidyl peptidase IV | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in E... | 28826083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 4 | 4 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Dipeptidyl peptidase IV | 3 |
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 2 | 2 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine