Compound Detail
CHEMBL1439624
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
[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL1439624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKDGLFTWGVHFGA-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1621746 |
| Active Moiety | CHEMBL1621746 |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
6.96
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.97
EC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.97 | 5.6267 | 1060.0 | 3 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 4.9 | 4.9 | 12600.0 | 1 |
| E3 ubiquitin-protein ligase UHRF1 CHEMBL2424510 | IC50 | 4.84 | 4.84 | 14302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1060.0 | nM | 5.97 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Unchecked | IC50 | = | 1770.0 | nM | 5.75 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | IC50 | = | 6920.0 | nM | 5.16 | PubChem BioAssay. TRFRET-based biochemical high throughput dose response assay t... | - |
| Neurotensin receptor type 1 | EC50 | = | 12600.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| E3 ubiquitin-protein ligase UHRF1 | IC50 | = | 14302.0 | nM | 4.84 | PubChem BioAssay. Counterscreen for inhibitors of 5-meCpG-binding domain protein... | - |
Data from ChEMBL 36 via Core Engine