Compound Detail
CHEMBL289562
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Basic Information
| ChEMBL ID | CHEMBL289562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJTMODWGQGJJLB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
2.85
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.38 | 4.38 | 42000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 42000.0 | nM | 4.38 | Inhibitory activity against Dipeptidylpeptidase IV mediated cleavage of Ala-Pro-... | 15006388 |
| Dipeptidyl peptidase 4 | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of DPP4 | 21996517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006388 | 10.1016/j.bmcl.2004.01.019 | Dipeptidyl peptidase 4 | 1 |
| 21996517 | 10.1016/j.bmcl.2011.09.093 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine