Details of the Drug

General Information of Drug (ID: DM0TV9L)

• Drug Name: LY467711
• Synonyms: BDBM86756; LY 467711

Indication

Disease Entry	ICD 11	Status	REF
Migraine	8A80	Terminated	[1]
Neuropathic pain	8E43.0	Terminated	[1]

• Therapeutic Class: Analgesics
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 435.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 7
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C21H30ClN5O3
  IUPAC Name: 2-methylpropyl (3R,4aS,6R,8aR)-6-[2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate;hydrochloride
  Canonical SMILES: CC(C)COC(=O)[C@H]1C[C@H]2C[C@@H](CC[C@H]2CN1)OC3=CC=CC=C3C4=NNN=N4.Cl
  InChI: InChI=1S/C21H29N5O3.ClH/c1-13(2)12-28-21(27)18-10-15-9-16(8-7-14(15)11-22-18)29-19-6-4-3-5-17(19)20-23-25-26-24-20;/h3-6,13-16,18,22H,7-12H2,1-2H3,(H,23,24,25,26);1H/t14-,15+,16+,18+;/m0./s1
  InChIKey: STJGUHHJXMUHAN-DYZVKEBGSA-N
• Cross-matching ID:
  PubChem CID: 129715717
  TTD ID: D08XOT
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Migraine
• ICD Disease Classification: 8A80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800015556)
• [2] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.