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
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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.