Compound Detail
CHEMBL1928616
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Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(C)(C)O3
Basic Information
| ChEMBL ID | CHEMBL1928616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVSFGCGBLZWAQR-YVGZAEJESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
650.7
MW (Da)
5.32
ALogP
11
HBA
0
HBD
144.6
PSA (Ų)
0.31
QED
3
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.44 | 6.875 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 36.0 | nM | 7.44 | Antiviral activity against wild type HIV1 | 22063755 |
| Human immunodeficiency virus 1 | EC50 | = | 490.0 | nM | 6.31 | Antiviral activity against drug-resistance HIV1 | 22063755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22063755 | 10.1016/j.ejmech.2011.10.025 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine