Compound Detail
CHEMBL1714422
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Basic Information
| ChEMBL ID | CHEMBL1714422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAOPIDVNRBRWMO-BVBGJJFLSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
2.52
ALogP
5
HBA
2
HBD
121.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 6.03 | 6.03 | 933.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.6 | 5.6 | 2490.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.54 | 5.54 | 2883.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.91 | 4.91 | 12200.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.38 | 4.38 | 41200.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 4.28 | 4.28 | 52100.0 | 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 | = | 933.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 2490.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 2883.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 12200.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 41200.0 | nM | 4.38 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 52100.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine