Compound Detail
CHEMBL1332881
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Basic Information
| ChEMBL ID | CHEMBL1332881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGYYHWDFIZTGMZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
2.52
ALogP
5
HBA
0
HBD
89.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 5.88 | 5.88 | 1302.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.43 | 5.43 | 3723.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.42 | 3759.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 1302.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 3723.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: C... | - |
| Unchecked | IC50 | = | 3759.0 | nM | 5.42 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
Data from ChEMBL 36 via Core Engine