Compound Detail
CHEMBL1702473
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Basic Information
| ChEMBL ID | CHEMBL1702473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKAAKWCKLUDXOB-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
0.59
ALogP
5
HBA
1
HBD
82.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.86 | 5.58 | 1372.0 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.31 | 5.31 | 4940.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.22 | 4.22 | 59600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1372.0 | nM | 5.86 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4940.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 4983.0 | nM | 5.3 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 6300.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 59600.0 | nM | 4.22 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
Data from ChEMBL 36 via Core Engine