Compound Detail
CHEMBL1700996
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Basic Information
| ChEMBL ID | CHEMBL1700996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTXPHSRJNZYSEG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1739822 |
| Active Moiety | CHEMBL1739822 |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.3
MW (Da)
0.71
ALogP
8
HBA
3
HBD
110.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.07 | 5.6025 | 845.1 | 4 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.41 | 4.41 | 38700.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.12 | 4.11 | 75500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 845.06 | nM | 6.07 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 1351.0 | nM | 5.87 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 3603.0 | nM | 5.44 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 9349.0 | nM | 5.03 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 38700.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
| Protein skinhead-1 | IC50 | = | 75500.0 | nM | 4.12 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 79600.0 | nM | 4.1 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Data from ChEMBL 36 via Core Engine