Details of the Drug

General Information of Drug (ID: DM49RI7)

• Drug Name: EP-51216
• Synonyms: (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-(4-aminobutanoylamino)-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanamide

Indication

Disease Entry	ICD 11	Status	REF
Eating disorder	6B82	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 831
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 21
  Hydrogen Bond Donor Count (hbonddonor); 10
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C46H58N10O5
  IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-(4-aminobutanoylamino)-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanamide
  Canonical SMILES: CC1=C(C2=CC=CC=C2N1)C[C@H](C(=O)N[C@H](CC3=C(NC4=CC=CC=C43)C)C(=O)N[C@@H](CC5=C(NC6=CC=CC=C65)C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CCCN
  InChI: InChI=1S/C46H58N10O5/c1-26-32(29-13-4-7-16-35(29)50-26)23-39(53-42(57)20-12-22-48)44(59)55-41(25-34-28(3)52-37-18-9-6-15-31(34)37)46(61)56-40(45(60)54-38(43(49)58)19-10-11-21-47)24-33-27(2)51-36-17-8-5-14-30(33)36/h4-9,13-18,38-41,50-52H,10-12,19-25,47-48H2,1-3H3,(H2,49,58)(H,53,57)(H,54,60)(H,55,59)(H,56,61)/t38-,39+,40-,41+/m0/s1
  InChIKey: DFXFDNPRHWLXON-AANMMBORSA-N
• Cross-matching ID:
  PubChem CID: 6918424
  TTD ID: D0Z6WI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Growth hormone receptor (GHR)	TTKMAZ6	GHR_HUMAN	Agonist	[1]

References

• [1] Emerging drugs for eating disorder treatment. Expert Opin Emerg Drugs. 2006 May;11(2):315-36.