Compound Detail
CHEMBL1406738
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
COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL1406738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKWMKNOWBWQMAL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
2.61
ALogP
6
HBA
3
HBD
133.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.48 | 5.48 | 3310.0 | 1 |
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 4.79 | 4.79 | 16332.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.1 | 4.1 | 79200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 3310.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 16332.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 23200.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Prothrombin | IC50 | = | 79200.0 | nM | 4.1 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine