Compound Detail
CHEMBL1469245
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Basic Information
| ChEMBL ID | CHEMBL1469245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOKXCAGORAZEFG-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
3.45
ALogP
8
HBA
2
HBD
134.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.74
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 | 5.74 | 5.74 | 1838.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.47 | 5.47 | 3350.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.21 | 5.17 | 6140.0 | 2 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.07 | 4.07 | 85900.0 | 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 | = | 1838.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 3350.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| SUMO-activating enzyme | IC50 | = | 6140.0 | nM | 5.21 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 7430.0 | nM | 5.13 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 13800.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 85900.0 | nM | 4.07 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine