Compound Detail
CHEMBL1385743
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Basic Information
| ChEMBL ID | CHEMBL1385743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLSVKWAKZYLJCD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
5.18
ALogP
6
HBA
1
HBD
92.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.94 | 5.81 | 1150.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.54 | 4.54 | 28600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 1150.0 | nM | 5.94 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 2080.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 28600.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
Data from ChEMBL 36 via Core Engine