nalfurafine [5543]



nalfurafine


SMILES CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey XGZZHZMWIXFATA-UEZBDDGYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Log P 3.090
Molecular weight (Da) 476.2
Stereochemistry info full

Database connections

Structure pdb 7YIT 9V6O
GPCRdb related ligands

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

nalfurafine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 7YIT 9V6O
GPCRdb related ligands

Compound is not listed as a drug.