Compound Detail
CHEMBL1881714
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Basic Information
| ChEMBL ID | CHEMBL1881714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZSQIAUJZAMIJA-ZMOGYAJESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.3
MW (Da)
4.97
ALogP
5
HBA
1
HBD
72.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.74 | 5.605 | 1817.0 | 2 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.3 | 5.3 | 5040.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.24 | 5.24 | 5790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 1817.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based S... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 3357.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Rec... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 5040.0 | nM | 5.3 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| X-box-binding protein 1 | IC50 | = | 5790.0 | nM | 5.24 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
Data from ChEMBL 36 via Core Engine