Compound Detail
CHEMBL4110020
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
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C1CCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC
Basic Information
| ChEMBL ID | CHEMBL4110020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQEDTORABICPOM-WULKIWOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
870.2
MW (Da)
4.55
ALogP
8
HBA
4
HBD
177.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3638344 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 2.0 | nM | 8.7 | Protease Assay: The inhibitory activity of certain compounds of Table A against ... | - |
Data from ChEMBL 36 via Core Engine