Compound Detail
CHEMBL1650412
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Basic Information
| ChEMBL ID | CHEMBL1650412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXTAKMISOCFYNR-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.76
ALogP
6
HBA
1
HBD
87.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.983 | hr | Homo sapiens |
| T1/2 | 0.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human DPP4 | 21186796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21186796 | 10.1021/jm101016w | Liver microsomes | 2 |
| 21186796 | 10.1021/jm101016w | Dipeptidyl peptidase 8 | 1 |
| 21186796 | 10.1021/jm101016w | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine