Compound Detail
CHEMBL1472200
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Basic Information
| ChEMBL ID | CHEMBL1472200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGVJQCOKXOACNG-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.15
ALogP
8
HBA
2
HBD
107.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.79
IC50 2 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.79 | 5.79 | 1620.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.57 | 4.57 | 27158.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 4.15 | 4.15 | 70900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.03 | 4.03 | 93200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 1620.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 27158.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 70900.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 93200.0 | nM | 4.03 | PUBCHEM_BIOASSAY: Dose response validation of uHTS inhibitor hits from DNMT1 for... | - |
Data from ChEMBL 36 via Core Engine