Compound Detail
CHEMBL4435383
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CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ccccc1C(=O)OC)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL4435383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYCQOHVTWIZBAD-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
0.68
ALogP
10
HBA
1
HBD
117.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2.91 | nM | 8.54 | Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insec... | 31336309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31336309 | 10.1016/j.ejmech.2019.07.045 | Dipeptidyl peptidase 4 | 1 |
| 31336309 | 10.1016/j.ejmech.2019.07.045 | Dipeptidyl peptidase 8 | 1 |
| 31336309 | 10.1016/j.ejmech.2019.07.045 | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine