Details of the Drug

General Information of Drug (ID: DMSOWPE)

• Drug Name: GSK-894281
• Synonyms: Ghrelin agonists (gastric motility disorder); SB-791016; Ghrelin agonists (gastric motility disorder), GlaxoSmithKline; Ghrelin agonists (gastric motility disorders), GSK

Indication

Disease Entry	ICD 11	Status	REF
Gastric motility disorder	DA21	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 473.6
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C24H28FN3O4S
  IUPAC Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-fluoro-4-(5-methylfuran-2-yl)benzenesulfonamide
  Canonical SMILES: C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC(=C(C=C3)C4=CC=C(O4)C)F
  InChI: InChI=1S/C24H28FN3O4S/c1-15-13-28(14-16(2)26-15)18-6-10-24(31-4)22(11-18)27-33(29,30)19-7-8-20(21(25)12-19)23-9-5-17(3)32-23/h5-12,15-16,26-27H,13-14H2,1-4H3/t15-,16+
  InChIKey: OIWVNMRPHUCLHN-IYBDPMFKSA-N
• Cross-matching ID:
  PubChem CID: 24803511
  CAS Number: 874958-63-1
  TTD ID: D0UV9F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Growth hormone secretagogue receptor 1 (GHSR)	TTWDC17	GHSR_HUMAN	Agonist	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Gastric motility disorder
• ICD Disease Classification: DA21

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Growth hormone secretagogue receptor 1 (GHSR)	DTT	GHSR	4.56E-01	-0.14	-0.74

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: 246).