Compound Detail
CHEMBL1715550
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Basic Information
| ChEMBL ID | CHEMBL1715550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYYPECSETJYYJN-JITUQJRDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.06
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.26 | 4929.0 | 2 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.08 | 5.08 | 8220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4929.0 | nM | 5.31 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 6216.0 | nM | 5.21 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 8220.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
Data from ChEMBL 36 via Core Engine