Details of the Drug

General Information of Drug (ID: DMKB2IJ)

• Drug Name: SEN-1500
• Synonyms: SEN-1576; Beta-amyloid aggregation inhibitors (Alzheimer's disease); Beta-amyloid aggregation inhibitors (Alzheimer's disease), Senexis

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Investigative	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 391.4
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C21H18FN5O2
  IUPAC Name: 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzonitrile
  Canonical SMILES: C1COCCN1C2=CC(=CC=C2)OC3=CN=C(N=C3)NC4=CC(=C(C=C4)F)C#N
  InChI: InChI=1S/C21H18FN5O2/c22-20-5-4-16(10-15(20)12-23)26-21-24-13-19(14-25-21)29-18-3-1-2-17(11-18)27-6-8-28-9-7-27/h1-5,10-11,13-14H,6-9H2,(H,24,25,26)
  InChIKey: RQBIQZWMNRERQQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54589394
  TTD ID: D07JKA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Amyloid beta A4 protein (APP)	TTE4KHA	A4_HUMAN	Inhibitor	[1]

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
Amyloid beta A4 protein (APP)	DTT	APP	1.60E-02	-0.07	-0.31

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2402).