Compound Detail
CHEMBL1761180
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COc1ccc(C(=O)Oc2c(OC)ccc3cc4[n+](cc23)CCc2cc3c(cc2-4)OCO3)cc1.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL1761180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGWZGFUTVXJPPI-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1789253 |
| Active Moiety | CHEMBL1789253 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
4.32
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
4
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