Compound Detail
CHEMBL4636314
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
COc1cc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)ccc1C(=O)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4636314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSUPMAXJCIVLAK-HDICACEKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
4.91
ALogP
7
HBA
1
HBD
76.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.23
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.23 | 5.23 | 5830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | IC50 | = | 73.0 | nM | 7.14 | Inhibition of tracer 222 binding to recombinant human GST-tagged GAK (1 to 329 r... | 31757682 |
| dengue virus type 2 | EC50 | = | 5830.0 | nM | 5.23 | Antiviral activity against Dengue virus 2 infected in human HuH7 cells incubated... | 31757682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31757682 | 10.1016/j.bmc.2019.115188 | Cyclin-G-associated kinase | 1 |
| 31757682 | 10.1016/j.bmc.2019.115188 | dengue virus type 2 | 1 |
| 31757682 | 10.1016/j.bmc.2019.115188 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine