Compound Detail
CHEMBL1450393
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1450393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCESUACIVCNKOD-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
1.57
ALogP
6
HBA
0
HBD
118.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.25
EC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.25 | 6.25 | 562.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.87 | 5.87 | 1340.0 | 1 |
| Sphingosine 1-phosphate receptor 4 CHEMBL3230 | IC50 | 5.62 | 5.315 | 2417.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.32 | 5.32 | 4768.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 562.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| Protein RecA | EC50 | = | 1340.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 2417.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Fluorescence dose response cell-based high throughput screenin... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 4768.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Sphingosine 1-phosphate receptor 4 | IC50 | = | 9683.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Late stage fluorescence dose response cell-based screening ass... | - |
Data from ChEMBL 36 via Core Engine