Compound Detail
CHEMBL1577127
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Basic Information
| ChEMBL ID | CHEMBL1577127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQUBFIZJIXNMEI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1625920 |
| Active Moiety | CHEMBL1625920 |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
164.2
MW (Da)
2.16
ALogP
2
HBA
1
HBD
28.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.72 | 5.72 | 1920.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.535 | 2580.0 | 2 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 5.57 | 5.57 | 2725.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 1300.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1920.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| Unchecked | IC50 | = | 2580.0 | nM | 5.59 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 2725.0 | nM | 5.57 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| Unchecked | IC50 | = | 3310.0 | nM | 5.48 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
Data from ChEMBL 36 via Core Engine