Compound Detail
CHEMBL1374955
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Basic Information
| ChEMBL ID | CHEMBL1374955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTGVMJARVQJAHT-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
4.92
ALogP
6
HBA
3
HBD
116.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.91 | 5.91 | 1231.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.09 | 5.05 | 8060.0 | 2 |
| SUMO E1/E2 CHEMBL3137290 | IC50 | 4.3 | 4.3 | 49700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 1231.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| SUMO-activating enzyme | IC50 | = | 8060.0 | nM | 5.09 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 9830.0 | nM | 5.01 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| SUMO E1/E2 | IC50 | = | 49700.0 | nM | 4.3 | PUBCHEM_BIOASSAY: SAR analysis of SUMOylation using HTRF in an in-Vitro dose res... | - |
| Unchecked | IC50 | = | 98000.0 | nM | 4.01 | PUBCHEM_BIOASSAY: SAR analysis of Ubc13-Ubiquitination selectivity in a TR-FRET ... | - |
Data from ChEMBL 36 via Core Engine