Compound Detail
CHEMBL199437
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Basic Information
| ChEMBL ID | CHEMBL199437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMSIQNYEJWCCQP-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.76
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 360.0 | nM | 6.44 | Inhibition of human DPP4 | 16236500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16236500 | 10.1016/j.bmcl.2005.09.037 | Caco-2 | 2 |
| 16236500 | 10.1016/j.bmcl.2005.09.037 | Dipeptidyl peptidase 4 | 1 |
| 16236500 | 10.1016/j.bmcl.2005.09.037 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine