Compound Detail
CHEMBL180000
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Basic Information
| ChEMBL ID | CHEMBL180000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRTNSDSFUOMPIH-HKUYNNGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.51
ALogP
3
HBA
2
HBD
85.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 13000.0 | nM | 4.89 | Inhibitory concentration against dipeptidylpeptidase IV | 15664838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 4 | 1 |
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 8 | 1 |
| 15664838 | 10.1016/j.bmcl.2004.11.023 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine