Compound Detail
CHEMBL1511181
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NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1511181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKXAPHVPTGSURU-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
4.05
ALogP
5
HBA
3
HBD
135.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plectin CHEMBL1293240 | IC50 | 5.81 | 5.81 | 1560.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.17 | 5.17 | 6710.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
| Fibrinogen beta chain CHEMBL2048 | IC50 | 4.84 | 4.84 | 14319.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.48 | 4.48 | 33400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plectin | IC50 | = | 1560.0 | nM | 5.81 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the bindi... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 6710.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 12100.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf... | - |
| Fibrinogen beta chain | IC50 | = | 14319.0 | nM | 4.84 | PubChem BioAssay. Fluorescence polarization-based biochemical high throughput do... | - |
| Prothrombin | IC50 | = | 33400.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine