Compound Detail
CHEMBL5269668
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CC#CCN1C(N2CCC[C@@H](N)C2)=NC2C1C(=O)N(Cc1cccnc1C#N)C(=O)N2Cc1cccnc1C#N
Basic Information
| ChEMBL ID | CHEMBL5269668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQOLTTZVROOXIF-BURHJUHKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
1.00
ALogP
10
HBA
1
HBD
158.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 10.05 | 10.05 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.09 | nM | 10.05 | Inhibition of DPP4 (unknown origin) using Gly-Pro-7-amido-4-methylcoumarin as su... | 29751237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29751237 | 10.1016/j.ejmech.2018.04.061 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine