Compound Detail
CHEMBL1417204
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Basic Information
| ChEMBL ID | CHEMBL1417204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPFBVVKWYQVYKJ-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
2.83
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.52
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| General amino acid permease AGP1 CHEMBL1741178 | EC50 | 6.52 | 6.52 | 305.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.96 | 5.96 | 1085.0 | 1 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.64 | 5.535 | 2269.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.05 | 5.05 | 8960.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| General amino acid permease AGP1 | EC50 | = | 305.0 | nM | 6.52 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
| Heat shock factor protein 1 | EC50 | = | 1085.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 2269.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based S... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 3688.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Rec... | - |
| Unchecked | EC50 | = | 8960.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Kappa-type opioid receptor | IC50 | = | 22800.0 | nM | 4.64 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
Data from ChEMBL 36 via Core Engine