β-FNA

Ligand id: 1631

Name: β-FNA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 108.33
Molecular weight 454.21
XLogP 1.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (2E)-3-{[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-yl]carbamoyl}prop-2-enoate
Synonyms
beta-funaltrexamine | naltrexone fumarate methyl ester
Database Links
BindingDB Ligand 50247803
CAS Registry No. 72782-05-9 (source: Scifinder)
ChEMBL Ligand CHEMBL473136
PubChem CID 5311018
Search Google for chemical match using the InChIKey PQKHESYTSKMWFP-WZJCLRDWSA-N
Search Google for chemicals with the same backbone PQKHESYTSKMWFP
Search UniChem for chemical match using the InChIKey PQKHESYTSKMWFP-WZJCLRDWSA-N
Search UniChem for chemicals with the same backbone PQKHESYTSKMWFP
SynPHARM 3941 (in complex with μ receptor)