Compound Detail
CHEMBL2115247
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Basic Information
| ChEMBL ID | CHEMBL2115247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRQNWILIXWSHFX-CDKBEWALSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
-0.20
ALogP
4
HBA
1
HBD
93.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.47 | 6.915 | 34.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.25 | hr | - |
| T1/2 | 1.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 34.0 | nM | 7.47 | Inhibition of human Dipeptidyl peptidase IV | - |
| Dipeptidyl peptidase 4 | Ki | = | 440.0 | nM | 6.36 | Inhibition of human Dipeptidyl peptidase IV | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00491-X | Dipeptidyl peptidase 4 | 2 |
| - | 10.1016/S0960-894X(96)00491-X | ADMET | 2 |
Data from ChEMBL 36 via Core Engine