Compound Detail
CHEMBL1415985
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 | CHEMBL1415985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDLBKBMVMRXEPM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
2.97
ALogP
6
HBA
1
HBD
105.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.46 | 5.46 | 3479.0 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.39 | 5.39 | 4074.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.19 | 5.19 | 6517.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.42 | 4.42 | 38300.0 | 1 |
| Protein Rev CHEMBL1293282 | IC50 | 4.18 | 4.18 | 65306.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 3479.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 4074.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Toll-like receptor 9 | IC50 | = | 6517.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 38300.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
| Protein Rev | IC50 | = | 65306.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
Data from ChEMBL 36 via Core Engine