R-VK4-40   Click here for help

GtoPdb Ligand ID: 11288

Compound class: Synthetic organic
Comment: R-VK4-40 is a selective dopamine D3 receptor antagonist [1-2]. It has been examined in animal models for potential to combat opioid abuse and addiction.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 71.6
Molecular weight 454.21
XLogP 4.38
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CCc1cccc(c1Cl)N1CCN(CC1)C[C@@H](CCNC(=O)c1cc2c([nH]1)cccc2)O
Isomeric SMILES CCc1cccc(c1Cl)N1CCN(CC1)C[C@@H](CCNC(=O)c1cc2c([nH]1)cccc2)O
InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand R-VK4-40
Other databases
GtoPdb PubChem SID 434321723
PubChem CID 130431314
Search Google for chemical match using the InChIKey OIRZLTZLOKARTG-HXUWFJFHSA-N
Search Google for chemicals with the same backbone OIRZLTZLOKARTG
UniChem Compound Search for chemical match using the InChIKey OIRZLTZLOKARTG-HXUWFJFHSA-N
UniChem Connectivity Search for chemical match using the InChIKey OIRZLTZLOKARTG-HXUWFJFHSA-N