Compound Detail
CHEMBL1423709
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Basic Information
| ChEMBL ID | CHEMBL1423709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBIKHEQYPNHVFY-ZROIWOOFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
1.99
ALogP
4
HBA
1
HBD
54.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 24180.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.26 | 4.26 | 55300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 3550.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 24180.0 | nM | 4.62 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Matrix metalloproteinase-14 | IC50 | = | 55300.0 | nM | 4.26 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
Data from ChEMBL 36 via Core Engine