Compound Detail
CHEMBL1500600
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Basic Information
| ChEMBL ID | CHEMBL1500600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWOCAZRCMAWTRL-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
423.4
MW (Da)
5.60
ALogP
6
HBA
1
HBD
98.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.09 | 6.045 | 805.0 | 2 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.91 | 5.91 | 1241.0 | 1 |
| NS3 CHEMBL1293269 | IC50 | 5.23 | 5.23 | 5884.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.83 | 4.83 | 14612.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 83505.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 805.0 | nM | 6.09 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 998.0 | nM | 6.0 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 1241.0 | nM | 5.91 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| NS3 | IC50 | = | 5884.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 14612.0 | nM | 4.83 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| Unchecked | IC50 | = | 83505.0 | nM | 4.08 | PUBCHEM_BIOASSAY: Counterscreen for HCV NS3 helicase inhibitors: Fluorescence-ba... | - |
Data from ChEMBL 36 via Core Engine