Compound Detail
CHEMBL408994
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Basic Information
| ChEMBL ID | CHEMBL408994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKSYSLOSBLCHEL-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
2.85
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.7 | 5.055 | 1980.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.39 | 4.835 | 4110.0 | 2 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 5.16 | 5.16 | 6933.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1980.0 | nM | 5.7 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 4110.0 | nM | 5.39 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deam... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 6933.8 | nM | 5.16 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 39300.0 | nM | 4.41 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 52600.0 | nM | 4.28 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deam... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18226912 | 10.1016/j.bmc.2007.12.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine