Compound Detail
CHEMBL5723377
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5723377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWXMOQGMIWZNPR-CKUXDGONSA-N |
| Parent Compound | CHEMBL98869 |
| Active Moiety | CHEMBL98869 |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
309.8
MW (Da)
2.16
ALogP
3
HBA
2
HBD
58.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.85
Ki 1 meas. best 10.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | Ki | 10.09 | 10.09 | 0.1 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 9.85 | 9.6167 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | Ki | = | 0.082 | nM | 10.09 | Affinity Biochemical interaction: (enzymatic assay (fluorogenic substrate cleava... | - |
| Dipeptidyl peptidase 2 | IC50 | = | 0.14 | nM | 9.85 | Affinity On-target Cellular interaction: (inhibition of fluorogenic substrate cl... | - |
| Dipeptidyl peptidase 2 | IC50 | = | 0.21 | nM | 9.68 | Affinity On-target Cellular interaction: (inhibition of fluorogenic substrate cl... | - |
| Dipeptidyl peptidase 2 | IC50 | = | 0.48 | nM | 9.32 | Affinity Biochemical interaction: (enzymatic assay (fluorogenic substrate cleava... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5723035 | Dipeptidyl peptidase 2 | 2 |
| - | 10.6019/CHEMBL5723379 | Dipeptidyl peptidase 2 | 2 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine