Compound Detail
CHEMBL5440616
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Basic Information
| ChEMBL ID | CHEMBL5440616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFIZANXLQHHSEE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
382.6
MW (Da)
4.03
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 6.31 | 6.31 | 489.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.5 | 5.5 | 3140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 | IC50 | = | 489.0 | nM | 6.31 | Inhibition of DPP9 (unknown origin) | 37721854 |
| Dipeptidyl peptidase 8 | IC50 | = | 3140.0 | nM | 5.5 | Inhibition of DPP8 (unknown origin) | 37721854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Unchecked | 2 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Dipeptidyl peptidase 4 | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Dipeptidyl peptidase 9 | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Dipeptidyl peptidase 8 | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Dipeptidyl peptidase 2 | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Glomulin | 1 |
| 37721854 | 10.1021/acs.jmedchem.3c00609 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine