Compound Detail
CHEMBL1494737
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Basic Information
| ChEMBL ID | CHEMBL1494737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAYJKDMDHKHXFD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1622641 |
| Active Moiety | CHEMBL1622641 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.33
ALogP
2
HBA
0
HBD
20.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.99 | 5.91 | 1022.0 | 2 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 1022.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 1462.0 | nM | 5.83 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Bcl-2-related protein A1 | IC50 | = | 5200.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors u... | - |
Data from ChEMBL 36 via Core Engine