Compound Detail
CHEMBL2425886
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Basic Information
| ChEMBL ID | CHEMBL2425886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQXZWOAEVRHHOF-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
1.56
ALogP
7
HBA
1
HBD
86.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.01 | 4.01 | 97900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 63.0 | % | Rattus norvegicus |
| T1/2 | 4.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 3.1 | nM | 8.51 | Inhibition of human DPP-4 using Gly-pro-AMC as substrate preincubated for 10 min... | 23994324 |
| Cytochrome P450 3A4 | IC50 | = | 97900.0 | nM | 4.01 | Inhibition of CYP3A (unknown origin) | 23994324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23994324 | 10.1016/j.ejmech.2013.08.010 | Rattus norvegicus | 2 |
| 23994324 | 10.1016/j.ejmech.2013.08.010 | Dipeptidyl peptidase 9 | 1 |
| 23994324 | 10.1016/j.ejmech.2013.08.010 | Dipeptidyl peptidase 8 | 1 |
| 23994324 | 10.1016/j.ejmech.2013.08.010 | Cytochrome P450 3A4 | 1 |
| 23994324 | 10.1016/j.ejmech.2013.08.010 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine