Compound Detail
CHEMBL1530797
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Basic Information
| ChEMBL ID | CHEMBL1530797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXYFDLSNCLJHMY-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.0
MW (Da)
3.18
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | EC50 | 6.47 | 6.47 | 338.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.34 | 5.335 | 4527.0 | 2 |
| Nucleic Acid CHEMBL345 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| HT-1080 CHEMBL614580 | EC50 | 4.84 | 4.84 | 14400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 | EC50 | = | 338.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Recept... | - |
| Unchecked | EC50 | = | 4527.0 | nM | 5.34 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 4667.0 | nM | 5.33 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Nucleic Acid | EC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| HT-1080 | EC50 | = | 14400.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HT1080 cell... | - |
Data from ChEMBL 36 via Core Engine