Details of the Drug

General Information of Drug (ID: DMX93AI)

• Drug Name: Thiadiazolyl carboxamide derivative 1
• Synonyms: PMID28270010-Compound-Figure18-1

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 366.5
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H22N4OS
  IUPAC Name: N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpyridine-3-carboxamide
  Canonical SMILES: CCN(C1=NN=C(S1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CN=CC=C3
  InChI: InChI=1S/C20H22N4OS/c1-5-24(18(25)15-7-6-12-21-13-15)19-23-22-17(26-19)14-8-10-16(11-9-14)20(2,3)4/h6-13H,5H2,1-4H3
  InChIKey: XMRKDXZDAAFZDU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71263688
  TTD ID: D06STX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tropomyosin-related kinase A (TrkA)	TTTDVOJ	NTRK1_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
Tropomyosin-related kinase A (TrkA)	DTT	NTRK1	8.72E-01	-0.04	-0.22

References

• [1] Tropomyosin receptor kinase inhibitors: an updated patent review for 2010-2016 - Part I.Expert Opin Ther Pat. 2017 Jun;27(6):733-751.