LM10   Click here for help

GtoPdb Ligand ID: 9016

Synonyms: LM-10
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 70.25
Molecular weight 229.08
XLogP 2.86
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc2c(c1)[nH]cc2C=Cc1nnn[nH]1
Isomeric SMILES Fc1ccc2c(c1)[nH]cc2/C=C/c1nnn[nH]1
InChI InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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ChEMBL Ligand CHEMBL1812545
GtoPdb PubChem SID 315661101
PubChem CID 135743630
Search Google for chemical match using the InChIKey JDBSZVDIUIRSDG-DAFODLJHSA-N
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UniChem Compound Search for chemical match using the InChIKey JDBSZVDIUIRSDG-DAFODLJHSA-N
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LM 10 (links to external site)
Cat. No. 5794