Details of the Drug

General Information of Drug (ID: DM42XHS)

• Drug Name: GT-2016
• Synonyms: GT 2016; GT-2016; CHEMBL14812; 152241-24-2; SCHEMBL3395544; BDBM86490; MolPort-023-276-421; ZINC1537834; PDSP2_001477; PDSP1_001493; AKOS024457088; API0010299; NCGC00371075-01; LS-193753; L009653

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 317.5
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C19H31N3O
  IUPAC Name: 5-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]pentan-1-one
  Canonical SMILES: C1CCC(CC1)CCCCC(=O)N2CCC(CC2)C3=CN=CN3
  InChI: InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)
  InChIKey: YTCGNPGLMAECND-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9839975
  TTD ID: D02YXQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_HUMAN	Inhibitor	[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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

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 800001957)
• [2] New acetylene based histamine H3 receptor antagonists derived from the marine natural product verongamine. Bioorg Med Chem Lett. 1998 May 19;8(10):1133-8.