Compound Detail
CHEMBL1462613
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 | CHEMBL1462613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFOOCUFSFLQKQH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
4.79
ALogP
6
HBA
1
HBD
74.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.53 | 5.53 | 2985.8 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.37 | 5.37 | 4251.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.35 | 5.35 | 4440.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.43 | 4.43 | 36843.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2985.81 | nM | 5.53 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Toll-like receptor 9 | IC50 | = | 4251.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 4440.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| CHO | IC50 | = | 36843.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
Data from ChEMBL 36 via Core Engine