Compound Detail
CHEMBL5394438
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(C)(C)[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@H](C(=O)C(N)=O)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL5394438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAALFZRASIUHAK-DOXQTLKJSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
610.8
MW (Da)
3.87
ALogP
5
HBA
3
HBD
138.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.85
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| enterovirus D68 CHEMBL613204 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| enterovirus D68 | EC50 | = | 140.0 | nM | 6.85 | Antiviral activity against enterovirus D68 US/MO/14-18947 infected in human RD c... | 37857371 |
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Inhibition of Enterovirus D68 US/KY/14-18953 2A protease expressed in Escherichi... | 37857371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37857371 | 10.1021/acs.jmedchem.3c00995 | Unchecked | 1 |
| 37857371 | 10.1021/acs.jmedchem.3c00995 | enterovirus D68 | 1 |
| 37857371 | 10.1021/acs.jmedchem.3c00995 | RD | 1 |
Data from ChEMBL 36 via Core Engine