LM10

Ligand id: 9016

Name: LM10

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 70.25
Molecular weight 229.08
XLogP 2.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-fluoro-3-[(E)-2-(1H-1,2,3,4-tetrazol-5-yl)ethenyl]-1H-indole
Synonyms
LM-10
Database Links
ChEMBL Ligand CHEMBL1812545
PubChem CID 91885138
Search Google for chemical match using the InChIKey JDBSZVDIUIRSDG-DAFODLJHSA-N
Search Google for chemicals with the same backbone JDBSZVDIUIRSDG
Search UniChem for chemical match using the InChIKey JDBSZVDIUIRSDG-DAFODLJHSA-N
Search UniChem for chemicals with the same backbone JDBSZVDIUIRSDG
Comments
LM10 is an experimental compound reported as an inhibitor of tryptophan 2,3-dioxygenase (TDO2), with anti-neoplastic activity in a murine syngeneic tumour model [1-2].
The closest structural match on PubChem (CID 91885138) is an alternative representation, with different double bond specification across the vinyl group linking the indole and tetrazole groups.