Compound Detail
CHEMBL1447306
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Basic Information
| ChEMBL ID | CHEMBL1447306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGSFFYVACCJJGR-PDGQHHTCSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.43
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.01
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.01 | 6.01 | 978.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 5.7 | 5.7 | 1995.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.17 | 5.17 | 6832.0 | 1 |
| Large ribosomal subunit protein eL19A CHEMBL1741172 | EC50 | 4.94 | 4.94 | 11390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 978.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 1995.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 6832.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: C... | - |
| Large ribosomal subunit protein eL19A | EC50 | = | 11390.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
Data from ChEMBL 36 via Core Engine