Compound Detail
CHEMBL1613578
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Basic Information
| ChEMBL ID | CHEMBL1613578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPXVJVYNGQMQIK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.8
MW (Da)
1.22
ALogP
6
HBA
3
HBD
112.7
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.98
IC50 2 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 5.98 | 5.98 | 1050.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 5.88 | 5.88 | 1306.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.67 | 5.67 | 2129.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.35 | 5.35 | 4463.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 1050.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 1306.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Heat shock factor protein 1 | EC50 | = | 2129.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 4463.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: C... | - |
Data from ChEMBL 36 via Core Engine