Compound Detail
CHEMBL1492565
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N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12
Basic Information
| ChEMBL ID | CHEMBL1492565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXVLUZVMQGFUFA-JLFKZYKSSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.95
ALogP
5
HBA
2
HBD
107.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.96 | 5.96 | 1104.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.24 | 5.24 | 5820.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 5.2 | 5.2 | 6340.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.2 | 5.2 | 6290.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1103.97 | nM | 5.96 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 5820.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Envelope glycoprotein gp160 | IC50 | = | 6340.0 | nM | 5.2 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| 72 kDa type IV collagenase | IC50 | = | 6290.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Prothrombin | IC50 | = | 10200.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 13300.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf... | - |
Data from ChEMBL 36 via Core Engine