Compound Detail
CHEMBL1587829
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Basic Information
| ChEMBL ID | CHEMBL1587829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRWLPPKQGLXEIW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.7
MW (Da)
4.11
ALogP
7
HBA
1
HBD
75.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL1293305 | IC50 | 5.01 | 5.01 | 9868.0 | 1 |
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 4.88 | 4.88 | 13215.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 9868.0 | nM | 5.01 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high-throughput dose response assay ... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 13215.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
Data from ChEMBL 36 via Core Engine