Compound Detail
CHEMBL3605604
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
CCC(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccsc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3605604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCZWDBFUAKIEIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.7
MW (Da)
5.14
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 18300.0 | nM | 4.74 | Inhibition of Tylonycteris bat coronavirus HKU4 N-terminal His6-tagged 3CLpro ex... | 26190463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26190463 | 10.1016/j.bmc.2015.06.039 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine