Compound Detail
CHEMBL2315036
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)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2315036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSPJDKCMFIPBAW-JPBGFCRCSA-M |
| Parent Compound | CHEMBL2365410 |
| Active Moiety | CHEMBL2365410 |
7
Targets
20
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
0.54
ALogP
7
HBA
5
HBD
171.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 9.3
EC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.3 | 8.23 | 0.5 | 3 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 8.0 | 7.3267 | 10.0 | 9 |
| Feline infectious peritonitis virus CHEMBL2367270 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 6.12 | 5.745 | 760.0 | 2 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
| Murine hepatitis virus CHEMBL613733 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| SARS-CoV CHEMBL4303836 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine