Compound Detail
CHEMBL563213
TIEGUSANIN C Enter ChEMBL ID:
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COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC(=O)c1ccccc1)[C@H](O)[C@H](C)[C@H](C)C2
Basic Information
| ChEMBL ID | CHEMBL563213 |
| Name | TIEGUSANIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQIUJKPVZMSRSS-RYUVBPIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
5.48
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 18500.0 | nM | 4.73 | Antiviral activity against HIV1 3B in human C8166 cells assessed as inhibition o... | 19413342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19413342 | 10.1021/np900123z | Human immunodeficiency virus 1 | 1 |
| 19413342 | 10.1021/np900123z | Unchecked | 1 |
| 19413342 | 10.1021/np900123z | C8166 | 1 |
Data from ChEMBL 36 via Core Engine