Compound Detail
CHEMBL3486744
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Basic Information
| ChEMBL ID | CHEMBL3486744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSLNREOYFLHKOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
4.00
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 4.96 | 4.96 | 10900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 10900.0 | nM | 4.96 | Agonist activity at human TLR7 in HEK293 cells cotransfected with SEAP reporter ... | 31247373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 5 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 3 |
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 2 |
| 31247373 | 10.1016/j.ejmech.2019.06.030 | Toll-like receptor 7 | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3988442 | Tyrosyl-tRNA synthetase, putative | 2 |
| - | 10.6019/CHEMBL3988442 | Shiga toxin 2 | 1 |
| - | 10.6019/CHEMBL3988442 | Arginase-2, mitochondrial | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3988442 | Aspartate--tRNA(Asp/Asn) ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Protein translocase subunit SecA | 1 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL3988442 | Polyketide synthase Pks13 | 1 |
| - | 10.6019/CHEMBL3507680 | Unchecked | 1 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 1 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | HepG2 | 1 |
| 31247373 | 10.1016/j.ejmech.2019.06.030 | HEK293 | 1 |
| 31247373 | 10.1016/j.ejmech.2019.06.030 | Toll-like receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine