Compound Detail
CHEMBL247523
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
COc1cc2c(cc1OC)[C@@H](NC(=O)OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)[C@H]1COC(=O)[C@@H]1[C@@H]2c1cc(OC)c(OC)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL247523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZYSZIQWHBPILE-KVAJRXCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
679.7
MW (Da)
2.74
ALogP
13
HBA
2
HBD
174.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.36 | 5.36 | 4390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4390.0 | nM | 5.36 | Antiviral activity against HIV1 in C8166 cells assessed as inhibition of syncyti... | 17317161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317161 | 10.1016/j.bmcl.2006.11.070 | C8166 | 1 |
| 17317161 | 10.1016/j.bmcl.2006.11.070 | Human immunodeficiency virus 1 | 1 |
| 17317161 | 10.1016/j.bmcl.2006.11.070 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine