Compound Detail
CHEMBL1558306
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Basic Information
| ChEMBL ID | CHEMBL1558306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIEKGGIFSRYTJJ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.66
ALogP
3
HBA
3
HBD
72.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.82
IC50 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 6.23 | 5.53 | 594.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.82 | 5.585 | 1527.0 | 2 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.07 | 5.07 | 8451.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 594.0 | nM | 6.23 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Unchecked | EC50 | = | 1527.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 4487.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Heat shock factor protein 1 | EC50 | = | 8451.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 14962.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
Data from ChEMBL 36 via Core Engine