Compound Detail
CHEMBL5266091
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Cc1c(C2CC3(CNCCO3)C2)sc2[nH]c(-c3cn4ncnc4c4c3CCC4)c(C(C)C)c12
Basic Information
| ChEMBL ID | CHEMBL5266091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFTAKZHGZFJNOZ-DYNODNKPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
5.10
ALogP
6
HBA
2
HBD
67.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | EC50 | 10.15 | 10.15 | 0.1 | 1 |
| Toll-like receptor 8 CHEMBL5805 | EC50 | 9.74 | 9.74 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | EC50 | = | 0.07 | nM | 10.15 | Antagonist activity at human TLR7 expressed in human PBMC cells preincubated for... | 37197455 |
| Toll-like receptor 8 | EC50 | = | 0.18 | nM | 9.74 | Antagonist activity at human TLR8 expressed in human PBMC cells preincubated for... | 37197455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37197455 | 10.1021/acsmedchemlett.3c00131 | Toll-like receptor 7 | 1 |
| 37197455 | 10.1021/acsmedchemlett.3c00131 | Toll-like receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine