Compound Detail
CHEMBL1501432
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Basic Information
| ChEMBL ID | CHEMBL1501432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSZGFEKXVFYPGZ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1622287 |
| Active Moiety | CHEMBL1622287 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
247.4
MW (Da)
3.03
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.16
IC50 3 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.16 | 5.865 | 693.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.82 | 5.82 | 1530.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.44 | 5.44 | 3615.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.2 | 5.2 | 6307.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 693.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1470.0 | nM | 5.83 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 1530.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| Unchecked | EC50 | = | 2702.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 3615.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 6307.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
Data from ChEMBL 36 via Core Engine