Compound Detail
CHEMBL1547025
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Basic Information
| ChEMBL ID | CHEMBL1547025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAVZGILHWGSMTD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1624459 |
| Active Moiety | CHEMBL1624459 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
4.85
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
EC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.11 | 5.11 | 7830.0 | 1 |
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 4.96 | 4.835 | 10967.0 | 2 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 7830.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 10967.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Bcl-2-related protein A1 | IC50 | = | 12400.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors u... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 19620.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
Data from ChEMBL 36 via Core Engine