Compound Detail
CHEMBL4863369
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
CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(Br)cc(C(=O)OC)c2)c1=O
Basic Information
| ChEMBL ID | CHEMBL4863369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIHKGIDJKYCFHB-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
1.56
ALogP
8
HBA
1
HBD
99.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human recombinant DPP4 using Gly-Pro-AMC as substrate preincubated... | 34399391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34399391 | 10.1016/j.ejmech.2021.113765 | Dipeptidyl peptidase 9 | 1 |
| 34399391 | 10.1016/j.ejmech.2021.113765 | Dipeptidyl peptidase 8 | 1 |
| 34399391 | 10.1016/j.ejmech.2021.113765 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine