Compound Detail
CHEMBL513425
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Basic Information
| ChEMBL ID | CHEMBL513425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXRHRPGYYNOBHO-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
3.43
ALogP
3
HBA
1
HBD
66.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.16 | 7.16 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of DPP4 | 18996694 |
| Dipeptidyl peptidase 4 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of dipeptidyl peptidase 4 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18996694 | 10.1016/j.bmcl.2008.10.076 | Dipeptidyl peptidase 4 | 1 |
| 18996694 | 10.1016/j.bmcl.2008.10.076 | Cytochrome P450 1A2 | 1 |
| 18996694 | 10.1016/j.bmcl.2008.10.076 | Cytochrome P450 2C9 | 1 |
| 18996694 | 10.1016/j.bmcl.2008.10.076 | Cytochrome P450 2C19 | 1 |
| 18996694 | 10.1016/j.bmcl.2008.10.076 | Cytochrome P450 2D6 | 1 |
| 18996694 | 10.1016/j.bmcl.2008.10.076 | Cytochrome P450 3A4 | 1 |
| - | 10.1007/s00044-012-0455-6 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine