Details of the Drug

General Information of Drug (ID: DMWF8U5)

• Drug Name: EX-1314
• Synonyms: BMS-317180; BMS-604992; BMS-606056; Ghrelin agonists, BMS; Ghrelin agonists, Elixir; Growth hormone secretagogues, BMS; Growthhormone secretagogues, Elixir

Indication

Disease Entry	ICD 11	Status	REF
Cachexia	MG20	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 534
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: C24H32ClN7O5
  IUPAC Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;hydrochloride
  Canonical SMILES: CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C2=NN=C3N2C(=CC=C3)COC(=O)N(C)CC(=O)N)N.Cl
  InChI: InChI=1S/C24H31N7O5.ClH/c1-24(2,26)22(33)27-18(15-35-13-16-8-5-4-6-9-16)21-29-28-20-11-7-10-17(31(20)21)14-36-23(34)30(3)12-19(25)32;/h4-11,18H,12-15,26H2,1-3H3,(H2,25,32)(H,27,33);1H/t18-;/m1./s1
  InChIKey: DFDPBEQMMOYQHK-GMUIIQOCSA-N
• Cross-matching ID:
  PubChem CID: 72941845
  CAS Number: 674343-47-6
  TTD ID: D0C4BI

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: Cachexia
• ICD Disease Classification: MG20

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).