Compound Detail
CHEMBL37980
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Basic Information
| ChEMBL ID | CHEMBL37980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZKGSMYOOFRCTE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
2.58
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.0 | 5.0 | 10000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Dipeptidylpeptidase IV | 15177478 |
| Dipeptidyl peptidase 4 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against Dipeptidylpeptidase IV mediated cleavage of Ala-Pro-... | 15006388 |
| Dipeptidyl peptidase 4 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of DPP-4 (unknown origin) | 37647598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177478 | 10.1016/j.bmcl.2004.04.049 | Unchecked | 1 |
| 15006388 | 10.1016/j.bmcl.2004.01.019 | Dipeptidyl peptidase 4 | 1 |
| 37647598 | 10.1021/acs.jmedchem.3c00412 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine