Compound Detail
CHEMBL3350921
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Basic Information
| ChEMBL ID | CHEMBL3350921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEEKHXGAOQTHNV-MROQNXINSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
2.04
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 31.0 | nM | 7.51 | In vitro inhibition constant against human Dipeptidyl peptidase IV | 16033281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033281 | 10.1021/jm050261p | Dipeptidyl peptidase 4 | 3 |
Data from ChEMBL 36 via Core Engine