Details of the Drug

General Information of Drug (ID: DM095HQ)

• Drug Name: LM11A-31
• Synonyms: N-[2-(Morpholin-4-yl)ethyl]-L-isoleucinamide; 1243259-19-9; (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide; 102562-74-3; SCHEMBL1723692; DTXSID50595097; ZINC4239960; (2s,3s)-2-amino-3-methyl-N-(2-morpholinoethyl) pentanamide; (2S,3S)-2-amino-3-methyl-N-(2-morpholinoethyl)-pentanamide; (2S,3S)-2-Amino-3-methyl-N-(2-morpholinoethyl)pentanamide

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 1/2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 243.35
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H25N3O2
  IUPAC Name: (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
  Canonical SMILES: CC[C@H](C)[C@@H](C(=O)NCCN1CCOCC1)N
  InChI: InChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1
  InChIKey: YNMUTYLWSRFTPX-QWRGUYRKSA-N
• Cross-matching ID:
  PubChem CID: 18604758
  CAS Number: 1243259-19-9
  TTD ID: D82DMK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Low-affinity nerve growth factor receptor (NGFR)	TTEDJN4	TNR16_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Alzheimer disease
• ICD Disease Classification: 8A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Low-affinity nerve growth factor receptor (NGFR)	DTT	NGFR	5.08E-01	0.38	0.37

References

• [1] ClinicalTrials.gov (NCT03069014) Study of LM11A-31-BHS in Mild-moderate AD Patients. U.S. National Institutes of Health.
• [2] Small molecule p75NTR ligand prevents cognitive deficits and neurite degeneration in an Alzheimer's mouse model.Neurobiol Aging.2013 Aug;34(8):2052-63.