Compound Detail
CHEMBL1313485
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Basic Information
| ChEMBL ID | CHEMBL1313485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIDUJWIVMGALOG-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.00
ALogP
7
HBA
3
HBD
117.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.77
EC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 6.06 | 6.06 | 868.0 | 1 |
| Toll-like receptor 1/2 CHEMBL3885643 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| TLR2/TLR6 CHEMBL3301399 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| G protein-coupled receptor kinase 6 CHEMBL6144 | IC50 | 5.15 | 5.15 | 7050.0 | 2 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.71 | 4.71 | 19442.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.45 | 4.45 | 35517.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 868.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Toll-like receptor 1/2 | IC50 | = | 1700.0 | nM | 5.77 | Antagonist activity at human TLR1/TLR2 | 37163340 |
| TLR2/TLR6 | IC50 | = | 5700.0 | nM | 5.24 | Antagonist activity at human TLR2/TLR6 | 37163340 |
| G protein-coupled receptor kinase 6 | IC50 | = | 7050.0 | nM | 5.15 | Inhibition of human recombinant full-length GST-tagged human GRK6 using peptide ... | - |
| G protein-coupled receptor kinase 6 | IC50 | = | 7050.0 | nM | 5.15 | TBD: TBD | - |
| Mannose-6-phosphate isomerase | IC50 | = | 19442.0 | nM | 4.71 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| RNA-binding protein pos-1 | EC50 | = | 35517.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 1/2 | 1 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | TLR2/TLR6 | 1 |
Data from ChEMBL 36 via Core Engine