nalfurafine

Ligand id: 1651

Name: nalfurafine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 86.38
Molecular weight 476.23
XLogP 2.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
International Nonproprietary Names
INN number INN
8209 nalfurafine
Synonyms
TRK 820 | TRK820
Database Links
BindingDB Ligand 50325534
CAS Registry No. 152657-84-6 (source: Scifinder)
ChEMBL Ligand CHEMBL267495
PubChem CID 6445230
Search Google for chemical match using the InChIKey XGZZHZMWIXFATA-UEZBDDGYSA-N
Search Google for chemicals with the same backbone XGZZHZMWIXFATA
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Search UniChem for chemical match using the InChIKey XGZZHZMWIXFATA-UEZBDDGYSA-N
Search UniChem for chemicals with the same backbone XGZZHZMWIXFATA
Wikipedia Nalfurafine