Details of the Drug

General Information of Drug (ID: DMPK2JO)

• Drug Name: NI-105
• Synonyms: Tau protein modulator (neurodegenerative disease); Tau protein modulator (neurodegenerative disease), Biogen Idec; Tau protein modulator (neurodegenerative disease), Neurimmune Therapeutics

Indication

Disease Entry	ICD 11	Status	REF
Neurodegenerative disorder	8A20-8A23	Investigative	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 340.3
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C16H15F3N2O3
  IUPAC Name: 1-[2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl]ethanone
  Canonical SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)C
  InChI: InChI=1S/C16H15F3N2O3/c1-8-13(10(3)22)14(15(21(23)24)9(2)20-8)11-6-4-5-7-12(11)16(17,18)19/h4-7,14,20H,1-3H3
  InChIKey: YYIGWZQIEFYARO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10065825
  TTD ID: D03LGX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Microtubule-associated protein tau (MAPT)	TTS87KH	TAU_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Neurodegenerative disorder
• ICD Disease Classification: 8A20-8A23

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Microtubule-associated protein tau (MAPT)	DTT	MAPT	3.76E-06	-0.22	-0.6

References

• [1] Microtubules (tau) as an emerging therapeutic target: NAP (davunetide). Curr Pharm Des. 2011;17(31):3413-7.