Compound Detail
CHEMBL5886352
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
CCCCOc1nc(N)c2nc(O)n(Cc3ccc4c(c3)Sc3cc(CNCc5ccncc5)ccc3N4C)c2n1
Basic Information
| ChEMBL ID | CHEMBL5886352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIPIQJGBSPRTSD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
568.7
MW (Da)
5.26
ALogP
11
HBA
3
HBD
127.2
PSA (Ų)
0.19
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 8.1 | 8.1 | 7.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 7.9 | nM | 8.1 | TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... | - |
| Toll-like receptor 7 | EC50 | = | 7.9 | nM | 8.1 | TLR7 Agonist Activity Assay: Engineered human embryonic kidney blue cells (HEK-B... | - |
Data from ChEMBL 36 via Core Engine