Compound Detail
CHEMBL1979747
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Basic Information
| ChEMBL ID | CHEMBL1979747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KINGBZOGECVTFJ-YBFXNURJSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
3.81
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 5.76 | 5.76 | 1755.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.7 | 5.7 | 1990.0 | 1 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.17 | 5.17 | 6778.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 1755.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Protein RecA | EC50 | = | 1990.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 6778.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: C... | - |
Data from ChEMBL 36 via Core Engine