Compound Detail
CHEMBL1485727
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Basic Information
| ChEMBL ID | CHEMBL1485727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRIZVVAIVKKTCS-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1622028 |
| Active Moiety | CHEMBL1622028 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
4.34
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.87
EC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.47 | 6.47 | 335.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.78 | 5.78 | 1670.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.64 | 5.64 | 2310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 335.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | IC50 | = | 1360.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 1670.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 2310.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
Data from ChEMBL 36 via Core Engine