Compound Detail
CHEMBL1556666
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Basic Information
| ChEMBL ID | CHEMBL1556666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPFUGGMLUBWBNK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.3
MW (Da)
5.34
ALogP
6
HBA
1
HBD
73.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.97
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.55 | 5.55 | 2820.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.97 | 4.97 | 10773.0 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 4.95 | 4.95 | 11132.9 | 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 | = | 2820.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 5300.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| Unchecked | EC50 | = | 10773.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Estrogen receptor | EC50 | = | 11132.94 | nM | 4.95 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... | - |
Data from ChEMBL 36 via Core Engine