Compound Detail
CHEMBL369883
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Basic Information
| ChEMBL ID | CHEMBL369883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXTYKLRDJPLWOX-HOTGVXAUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
0.82
ALogP
6
HBA
1
HBD
108.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.5 | 4.5 | 31259.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 19.0 | nM | 7.72 | Inhibitory concentration against Dipeptidylpeptidase 8 | 15927466 |
| Dipeptidyl peptidase 4 | IC50 | = | 63.0 | nM | 7.2 | Inhibitory concentration against Dipeptidylpeptidase IV [DPP-IV] | 15927466 |
| Dipeptidyl peptidase 2 | IC50 | = | 31259.0 | nM | 4.5 | Inhibitory concentration against DPP-II [Quiescent cell proline dipeptidase] or ... | 15927466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15927466 | 10.1016/j.bmcl.2005.04.051 | Dipeptidyl peptidase 4 | 1 |
| 15927466 | 10.1016/j.bmcl.2005.04.051 | Dipeptidyl peptidase 8 | 1 |
| 15927466 | 10.1016/j.bmcl.2005.04.051 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine