Compound Detail
CHEMBL1438636
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Basic Information
| ChEMBL ID | CHEMBL1438636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYYVQCCXLKZCEP-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
309.9
MW (Da)
1.36
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.01
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.01 | 5.96 | 976.0 | 2 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 5.37 | 5.37 | 4223.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.91 | 4.91 | 12445.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 4.78 | 4.78 | 16630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 976.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Unchecked | EC50 | = | 1237.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 4223.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Heat shock factor protein 1 | EC50 | = | 12445.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 16630.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: C... | - |
Data from ChEMBL 36 via Core Engine