S(+)-apomorphine

Ligand id: 8285

Name: S(+)-apomorphine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 43.7
Molecular weight 267.13
XLogP 3.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Synonyms
S-apomorphine | S-(+)-apomorphine
Database Links
CAS Registry No. 39478-62-1
ChEMBL Ligand CHEMBL416288
PubChem CID 736083
RCSB PDB Ligand 5RL
Search Google for chemical match using the InChIKey VMWNQDUVQKEIOC-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone VMWNQDUVQKEIOC
Search UniChem for chemical match using the InChIKey VMWNQDUVQKEIOC-ZDUSSCGKSA-N
Search UniChem for chemicals with the same backbone VMWNQDUVQKEIOC
Comments
S(+)-apomorphine a brain-penetrating activator of the activator of the nuclear erythroid 2-related-factor 2 (Nrf2)-ARE (antioxidant response element) pathway [1]. This compound is a receptor-inactive enantiomer of the clinically approved dopamine-receptor agonist apomorphine (R(-)-apomorphine).