Compound Detail
CHEMBL3112964
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Basic Information
| ChEMBL ID | CHEMBL3112964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTMCMHMWGFUOCZ-HDJSIYSDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
253.8
MW (Da)
3.13
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of human recombinant DPP4 (39 to 766) | 24439847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine