Compound Detail
CHEMBL1581275
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Basic Information
| ChEMBL ID | CHEMBL1581275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQIMUBLPKIDRQM-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.96
ALogP
6
HBA
1
HBD
74.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.5
IC50 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.74 | 5.43 | 1832.0 | 2 |
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 5.5 | 5.5 | 3153.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.21 | 5.21 | 6184.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 4.61 | 4.61 | 24758.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1832.0 | nM | 5.74 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Opioid receptors; mu & delta | EC50 | = | 3153.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 6184.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 7640.0 | nM | 5.12 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Mu-type opioid receptor | EC50 | = | 24758.0 | nM | 4.61 | PubChem BioAssay. Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
Data from ChEMBL 36 via Core Engine