RBM2-1B

Ligand id: 8879

Name: RBM2-1B

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 23
Topological polar surface area 74.63
Molecular weight 427.35
XLogP 10.05
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(E,2R)-1-hydroxy-4-tridecylsulfanylbut-3-en-2-yl]octanamide
Database Links
BindingDB Ligand 50382314
ChEMBL Ligand CHEMBL2024680
PubChem CID 60150550
Search Google for chemical match using the InChIKey NYZFADNSXWSJDZ-PPEFQKSUSA-N
Search Google for chemicals with the same backbone NYZFADNSXWSJDZ
Search UniChem for chemical match using the InChIKey NYZFADNSXWSJDZ-PPEFQKSUSA-N
Search UniChem for chemicals with the same backbone NYZFADNSXWSJDZ
Comments
RBM2-1B is the most potent inhibitor of dihydroceramide desaturase 1 (DES1; official gene name delta(4)-desaturase, sphingolipid 1, DEGS1) reported in [1].