Compound Detail
CHEMBL1967046
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Basic Information
| ChEMBL ID | CHEMBL1967046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRFAFIWUINYRTD-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
1.99
ALogP
4
HBA
0
HBD
43.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.93 | 5.1825 | 1175.0 | 4 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.34 | 5.34 | 4580.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.89 | 4.89 | 12728.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1175.0 | nM | 5.93 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 2778.0 | nM | 5.56 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4580.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| No relevant target | IC50 | = | 12728.0 | nM | 4.89 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| Unchecked | IC50 | = | 14974.0 | nM | 4.83 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 39120.0 | nM | 4.41 | PubChem BioAssay. Fluorescence-based biochemical primary high throughput dose re... | - |
Data from ChEMBL 36 via Core Engine