Compound Detail
CHEMBL1555532
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 | CHEMBL1555532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBFRYZAVSLGLKQ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
347.3
MW (Da)
2.35
ALogP
7
HBA
0
HBD
144.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.8 | 5.8 | 1596.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.16 | 5.16 | 6974.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.92 | 4.92 | 12055.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.73 | 15340.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 1596.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Toll-like receptor 9 | IC50 | = | 6974.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 12055.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Unchecked | IC50 | = | 15340.0 | nM | 4.81 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 22600.0 | nM | 4.65 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine