Compound Detail
CHEMBL3112957
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Basic Information
| ChEMBL ID | CHEMBL3112957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCFHGSIDGCTBMB-JCNLHEQBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.8
MW (Da)
2.91
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.75 | 4.75 | 17600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant DPP4 (39 to 766) | 24439847 |
| Dipeptidyl peptidase 9 | IC50 | = | 17600.0 | nM | 4.75 | Inhibition of human recombinant DPP9 | 24439847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Unchecked | 2 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 8 | 1 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 9 | 1 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine