Compound Detail
CHEMBL1319541
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 | CHEMBL1319541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQJFOLOHSFCUQS-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.39
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.49 | 5.34 | 3250.0 | 2 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.8 | 4.8 | 15700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.77 | 4.5767 | 17000.0 | 3 |
| FaDu CHEMBL612250 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3250.0 | nM | 5.49 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Unchecked | IC50 | = | 6460.0 | nM | 5.19 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Signal transducer and activator of transcription 3 | IC50 | = | 15700.0 | nM | 4.8 | Inhibition of IL-6-induced STAT3 phosphorylation in human Cal33 cells assessed a... | 25288188 |
| NON-PROTEIN TARGET | IC50 | = | 17000.0 | nM | 4.77 | Growth inhibition of human OSC19 cells | 25288188 |
| FaDu | IC50 | = | 18800.0 | nM | 4.73 | Growth inhibition of human FADU cells | 25288188 |
| NON-PROTEIN TARGET | IC50 | = | 29400.0 | nM | 4.53 | Growth inhibition of human CAL33 cells | 25288188 |
| NON-PROTEIN TARGET | IC50 | = | 37500.0 | nM | 4.43 | Growth inhibition of human 686LN cells | 25288188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25288188 | 10.1016/j.bmcl.2014.09.001 | NON-PROTEIN TARGET | 3 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | Signal transducer and activator of transcription 3 | 2 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | Signal transducer and activator of transcription 1-alpha/beta | 2 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | Tyrosine-protein kinase JAK1 | 1 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | Tyrosine-protein kinase JAK2 | 1 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | Molecular identity unknown | 1 |
| 25288188 | 10.1016/j.bmcl.2014.09.001 | FaDu | 1 |
Data from ChEMBL 36 via Core Engine