Compound Detail
CHEMBL1448942
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Basic Information
| ChEMBL ID | CHEMBL1448942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTACNXAPWZLEEF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
3.28
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
| 14-3-3 protein gamma CHEMBL1293296 | IC50 | 4.59 | 4.59 | 25723.5 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.58 | 4.58 | 26300.0 | 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 | = | 16200.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| 14-3-3 protein gamma | IC50 | = | 25723.5 | nM | 4.59 | PUBCHEM_BIOASSAY: 14-3-3 protein interaction modulators Dose Response Confirmati... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 26300.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
Data from ChEMBL 36 via Core Engine