Compound Detail
CHEMBL1610821
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Basic Information
| ChEMBL ID | CHEMBL1610821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTDHCAIIGVGQAP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1626423 |
| Active Moiety | CHEMBL1626423 |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
254.4
MW (Da)
3.80
ALogP
2
HBA
1
HBD
28.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.76
EC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.22 | 7.16 | 6.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.76 | 5.03 | 1750.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.5 | 5.5 | 3190.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 5.23 | 5.23 | 5930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6.0 | nM | 8.22 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Unchecked | EC50 | = | 788.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 1750.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 2620.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 3190.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 5930.0 | nM | 5.23 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| Unchecked | IC50 | = | 50300.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
Data from ChEMBL 36 via Core Engine