Compound Detail
CHEMBL90170
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Basic Information
| ChEMBL ID | CHEMBL90170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAYZWWNNJZMQCQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
4.70
ALogP
4
HBA
1
HBD
20.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.47 | 5.47 | 3350.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 3350.0 | nM | 5.47 | Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 ... | 25443644 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of protein kinase C(1:1mixture of PKC alpha & beta) expressed in Sf9 ... | 9873605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873605 | 10.1016/s0960-894x(98)00468-5 | Unchecked | 1 |
| 25443644 | 10.1016/j.bmc.2014.06.051 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine