Compound Detail
CHEMBL1399698
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Basic Information
| ChEMBL ID | CHEMBL1399698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAUQIWOBYGUGLK-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.61
ALogP
4
HBA
2
HBD
53.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.48
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.48 | 5.825 | 333.0 | 2 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 5.85 | 5.85 | 1420.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.55 | 5.55 | 2807.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 333.0 | nM | 6.48 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 1420.0 | nM | 5.85 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
| Streptococcus | EC50 | = | 2807.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 6796.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| X-box-binding protein 1 | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
Data from ChEMBL 36 via Core Engine