Compound Detail
CHEMBL1875123
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Basic Information
| ChEMBL ID | CHEMBL1875123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYOLLVLXNYCIPC-WSVATBPTSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
348.7
MW (Da)
2.55
ALogP
6
HBA
2
HBD
89.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.38 | 5.38 | 4160.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.3 | 5.3 | 5020.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 5.01 | 5.01 | 9730.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.67 | 4.67 | 21500.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.18 | 4.18 | 65600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 4160.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 5020.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 9730.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 21500.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 65600.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine