Compound Detail
CHEMBL1521989
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Basic Information
| ChEMBL ID | CHEMBL1521989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYIWPEZHWMFQFF-XFXZXTDPSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
4.57
ALogP
4
HBA
0
HBD
61.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.68
IC50 3 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.14 | 6.14 | 727.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.68 | 5.215 | 2074.0 | 4 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.61 | 5.61 | 2452.7 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.12 | 5.12 | 7637.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 727.0 | nM | 6.14 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Unchecked | EC50 | = | 2074.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| G-protein coupled receptor 35 | IC50 | = | 2452.74 | nM | 5.61 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 7637.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: C... | - |
| Unchecked | EC50 | = | 8049.0 | nM | 5.09 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 8964.0 | nM | 5.05 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 9076.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
Data from ChEMBL 36 via Core Engine