Details of the Drug

General Information of Drug (ID: DMDW5ZC)

• Drug Name: SER-100
• Synonyms: ORL1 receptor agonists, Zealand Pharma; ZP-120; ZP-120C

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Phase 2	[1]

• #Ro5 Violations (Lipinski): 5:
  Molecular Weight (mw); 1781.2
  Logarithm of the Partition Coefficient (xlogp); -3.8
  Rotatable Bond Count (rotbonds); 66
  Hydrogen Bond Donor Count (hbonddonor); 27
  Hydrogen Bond Acceptor Count (hbondacc); 24
• Chemical Identifiers:
  Formula: C85H141N27O15
  IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanamide
  Canonical SMILES: CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N
  InChI: InChI=1S/C85H141N27O15/c1-52(113)101-61(29-18-46-98-84(94)95)73(117)110-70(49-54-33-37-57(115)38-34-54)82(126)111-69(48-53-31-35-56(114)36-32-53)81(125)109-68(30-19-47-99-85(96)97)80(124)112-71(50-55-51-100-59-21-3-2-20-58(55)59)83(127)108-67(28-10-17-45-92)79(123)107-66(27-9-16-44-91)78(122)106-65(26-8-15-43-90)77(121)105-64(25-7-14-42-89)76(120)104-63(24-6-13-41-88)75(119)103-62(23-5-12-40-87)74(118)102-60(72(93)116)22-4-11-39-86/h2-3,20-21,31-38,51,60-71,100,114-115H,4-19,22-30,39-50,86-92H2,1H3,(H2,93,116)(H,101,113)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,127)(H,109,125)(H,110,117)(H,111,126)(H,112,124)(H4,94,95,98)(H4,96,97,99)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
  InChIKey: GJLXVWOMRRWCIB-MERZOTPQSA-N
• Cross-matching ID:
  PubChem CID: 25086585
  CAS Number: 383123-18-0
  UNII: VJ98TJ922K
  DrugBank ID: DB16013
  TTD ID: D08FSD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nociceptin receptor (OPRL1)	TTNT7K8	OPRX_HUMAN	Agonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Heart failure
• ICD Disease Classification: BD10-BD13

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nociceptin receptor (OPRL1)	DTT	OPRL1	1.75E-01	0.05	0.25

References

• [1] ClinicalTrials.gov (NCT00283361) ZP120 Add-on to Furosemide in Treatment of Acute or Sub-Acute Decompensated Heart Failure. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of Serodus ASA.