Compound Detail
CHEMBL1375102
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Basic Information
| ChEMBL ID | CHEMBL1375102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJNCXPSSFAXWAG-ZYFYRQFPSA-M |
| Parent Compound | CHEMBL1618734 |
| Active Moiety | CHEMBL1618734 |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
158.2
MW (Da)
0.58
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.32
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.32 | 5.32 | 4760.0 | 1 |
| Ion channel NompC CHEMBL1293245 | EC50 | 4.75 | 4.75 | 17600.0 | 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 | = | 1890.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1890.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| Mucolipin-3 | EC50 | = | 4760.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Ion channel NompC | EC50 | = | 17600.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Fluorescence counterscreen assay for TRPML3 agonists: dose res... | - |
Data from ChEMBL 36 via Core Engine