Compound Detail
CHEMBL1728023
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Basic Information
| ChEMBL ID | CHEMBL1728023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCEAYWZNKJLFAM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL31574 |
| Active Moiety | CHEMBL31574 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
2.28
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.42 | 6.13 | 378.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 378.31 | nM | 6.42 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 1449.0 | nM | 5.84 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
Data from ChEMBL 36 via Core Engine