Compound Detail
CHEMBL328123
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Basic Information
| ChEMBL ID | CHEMBL328123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIMBBMMXNMJBHN-ASODMVGOSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
0.07
ALogP
4
HBA
1
HBD
79.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 48.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 450.0 | nM | 6.35 | Inhibition of human Dipeptidyl peptidase IV | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00491-X | Dipeptidyl peptidase 4 | 1 |
| - | 10.1016/S0960-894X(96)00491-X | ADMET | 1 |
Data from ChEMBL 36 via Core Engine