Compound Detail
CHEMBL1432243
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Basic Information
| ChEMBL ID | CHEMBL1432243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGMDGQSGCZAQOL-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.33
ALogP
7
HBA
2
HBD
104.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.58
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | EC50 | 5.58 | 5.58 | 2609.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.92 | 4.855 | 11874.0 | 2 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.75 | 4.75 | 17924.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 | EC50 | = | 2609.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Recept... | - |
| Unchecked | EC50 | = | 11874.0 | nM | 4.92 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 16284.0 | nM | 4.79 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 17924.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine