LG100268

Ligand Id: 2808
Ligand name LG100268

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.19
Molecular weight 363.22
XLogP 8.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
DrugBank groups experimental
IUPAC Name
6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
Synonyms
6-(1-[3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopropyl) nicotinic acid
Database Links
BindingDB Ligand 50032671
ChEMBL Ligand 161111
DrugBank Ligand DB01941
NURSA Ligand li13
PubChem CID 3922
RCSB PDB Ligand LG2
Search Google for chemical match using the InChIKey SLXTWXQUEZSSTJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SLXTWXQUEZSSTJ
ZINC ZINC03873121