Compound Detail
CHEMBL1347469
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Basic Information
| ChEMBL ID | CHEMBL1347469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYPQUWRVEBRFOQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.98
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.25
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 6.25 | 5.845 | 569.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11809.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 569.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based S... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 3627.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Rec... | - |
| Unchecked | IC50 | = | 11809.0 | nM | 4.93 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
Data from ChEMBL 36 via Core Engine