E339-3D6 [3131]
E339-3D6
| SMILES | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCCC(NC(=O)CC4=CSC(=N)[NH+]4C)C(=O)NC(Cc4cn(Cc5ccccc5)c[n+]4C)C(=O)NC4CC[NH+](C)CC4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F |
| InChIKey | SEZVZMIKECAWEG-UHFFFAOYSA-O |
Chemical Properties
| Hydrogen bond acceptors | 19 |
| Hydrogen bond donors | 10 |
| Rotatable bonds | 38 |
| Log P | 3.762 |
| Molecular weight (Da) | 1746.7 |
| Stereochemistry info | unspecified |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
E339-3D6
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0