conessine   Click here for help

GtoPdb Ligand ID: 8981

Comment: Conessine is an alkaloid obtained from the bark and seeds of Holarrhena antidysenterica trees. It binds with high affinity to rat and human histamine H3 receptors in radio-ligand binding assays, acting as a receptor antagonist [2-3]. H3 antagonists are being researched as potential drugs for the treatment of neurodegenerative conditions and for their stimulant and nootropic effects. For example, pitolisant is in clinical trial for Parkinson's disease, narcolepsy, cataplexy and excessive daytime sleepiness.
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 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 6.48
Molecular weight 356.32
XLogP 5
No. Lipinski's rules broken 0
Click here for help
Isomeric SMILES CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C
InChI InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
Classification Click here for help
Compound class Natural product or derivative
Database Links Click here for help
Specialist databases
GPCRdb Ligand conessine
Other databases
GtoPdb PubChem SID 310264761
PubChem CID 441082
Search Google for chemical match using the InChIKey GPLGAQQQNWMVMM-MYAJQUOBSA-N
Search Google for chemicals with the same backbone GPLGAQQQNWMVMM
UniChem Compound Search for chemical match using the InChIKey GPLGAQQQNWMVMM-MYAJQUOBSA-N
UniChem Connectivity Search for chemical match using the InChIKey GPLGAQQQNWMVMM-MYAJQUOBSA-N