Compound Detail
CHEMBL1086473
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 | CHEMBL1086473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQBDMXYZNLJUFT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
14
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.56
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 7.23 | 6.8433 | 59.1 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 59.1 | nM | 7.23 | Agonist activity at human TLR7 expressed in NF-kappaB-stimulated HEK293 cells as... | 20481492 |
| Toll-like receptor 7 | EC50 | = | 59.1 | nM | 7.23 | Agonist activity at TLR7 (unknown origin) | 37163340 |
| Toll-like receptor 7 | EC50 | = | 850.0 | nM | 6.07 | Agonist activity at human TLR7 in HEK-Blue hTLR7 cells assessed as increase in i... | 38741265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30850167 | 10.1016/j.bmcl.2019.02.029 | Plasmodium berghei | 32 |
| 30850167 | 10.1016/j.bmcl.2019.02.029 | ADMET | 7 |
| 34527180 | 10.1021/acsmedchemlett.1c00267 | ADMET | 5 |
| 23899291 | 10.1021/jm400694d | Toll-like receptor 8 | 4 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 34527180 | 10.1021/acsmedchemlett.1c00267 | Unchecked | 2 |
| 20481492 | 10.1021/jm100358c | Toll-like receptor 8 | 1 |
| 20481492 | 10.1021/jm100358c | Blood | 1 |
| 20481492 | 10.1021/jm100358c | Toll-like receptor 7 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 34527180 | 10.1021/acsmedchemlett.1c00267 | TLR7 and TLR8 | 1 |
| 37163340 | 10.1021/acs.jmedchem.2c01655 | Toll-like receptor 7 | 1 |
| 38741265 | 10.1021/acs.jmedchem.4c00464 | Toll-like receptor 7 | 1 |
| 38741265 | 10.1021/acs.jmedchem.4c00464 | Toll-like receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine