Compound Detail
CHEMBL3350933
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Basic Information
| ChEMBL ID | CHEMBL3350933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJQRXWVSKOAFPJ-NOOOWODRSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
0.38
ALogP
4
HBA
2
HBD
90.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 8.13 | 8.13 | 7.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 59.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 7.4 | nM | 8.13 | In vitro inhibition constant against human Dipeptidyl peptidase IV | 16033281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033281 | 10.1021/jm050261p | Dipeptidyl peptidase 4 | 7 |
| 16033281 | 10.1021/jm050261p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine