Compound Detail
CHEMBL1340713
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Basic Information
| ChEMBL ID | CHEMBL1340713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJTWHJGIXFUEQE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1626334 |
| Active Moiety | CHEMBL1626334 |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.90
ALogP
3
HBA
1
HBD
49.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.68
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 6.16 | 6.16 | 691.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.68 | 5.675 | 2065.0 | 2 |
| Sphingosine 1-phosphate receptor 1 CHEMBL4333 | IC50 | 5.43 | 5.43 | 3741.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.12 | 5.12 | 7590.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 691.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Unchecked | EC50 | = | 2065.0 | nM | 5.68 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 2147.0 | nM | 5.67 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Sphingosine 1-phosphate receptor 1 | IC50 | = | 3741.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: C... | - |
| Neurotensin receptor type 1 | EC50 | = | 7590.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 10800.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
Data from ChEMBL 36 via Core Engine