Compound Detail
CHEMBL1421470
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Basic Information
| ChEMBL ID | CHEMBL1421470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYXDCHMCQXLWGP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.7
MW (Da)
2.36
ALogP
8
HBA
3
HBD
104.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.3 | 6.3 | 498.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 6.05 | 6.05 | 891.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.5 | 5.5 | 3199.9 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 5.08 | 5.08 | 8370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 498.0 | nM | 6.3 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 891.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| G-protein coupled receptor 55 | IC50 | = | 3199.88 | nM | 5.5 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 8370.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine