Compound Detail
CHEMBL2425891
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Basic Information
| ChEMBL ID | CHEMBL2425891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCTNBSORTFEAEF-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
1.87
ALogP
7
HBA
1
HBD
86.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.33 | 4.33 | 46240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 9.1 | nM | 8.04 | Inhibition of human DPP-4 using Gly-pro-AMC as substrate preincubated for 10 min... | 23994324 |
| Cytochrome P450 3A4 | IC50 | = | 46240.0 | nM | 4.33 | Inhibition of CYP3A (unknown origin) | 23994324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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