Compound Detail
CHEMBL1761179
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COc1ccc2cc3[n+](cc2c1OC(=O)c1cccc2ccccc12)CCc1cc2c(cc1-3)OCO2.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL1761179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHOLDCNAQXBDDY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1789291 |
| Active Moiety | CHEMBL1789291 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
5.46
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21295891 | 10.1016/j.ejmech.2011.01.016 | Human immunodeficiency virus 1 | 2 |
| 21295891 | 10.1016/j.ejmech.2011.01.016 | ADMET | 1 |
| 21295891 | 10.1016/j.ejmech.2011.01.016 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine