Compound Detail
CHEMBL425584
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Basic Information
| ChEMBL ID | CHEMBL425584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANQHSFFUNMTTRS-MOPGFXCFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
2.51
ALogP
3
HBA
2
HBD
75.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.05 | 7.05 | 90.0 | 3 |
| Dipeptidyl peptidase 4 CHEMBL3813 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of DPP4 by continuous fluorimetric assay | 16376544 |
| Dipeptidyl peptidase 4 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of DPP4 by continuous fluorimetric assay | 19515557 |
| Dipeptidyl peptidase 4 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of dipeptidyl peptidase 4 (unknown origin) | - |
| Dipeptidyl peptidase 4 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of DPP4 by continuous fluorimetric assay | 16376544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16376544 | 10.1016/j.bmcl.2005.11.103 | Dipeptidyl peptidase 4 | 2 |
| 19515557 | 10.1016/j.bmcl.2009.05.109 | Dipeptidyl peptidase 4 | 1 |
| 19515557 | 10.1016/j.bmcl.2009.05.109 | Liver microsomes | 1 |
| - | 10.1007/s00044-012-0455-6 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine