LJ-4517 [4756]



LJ-4517


SMILES CCCCC#Cc1nc(N)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
InChIKey MUHXGASCCALSAJ-PRIMNGNOSA-N

Chemical Properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 4
Log P 1.929
Molecular weight (Da) 399.1
Stereochemistry info full

Database connections

Structure pdb 8CU6 8CU7

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

LJ-4517


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

Database connections

Structure pdb 8CU6 8CU7

Compound is not listed as a drug.