Details of the Drug

General Information of Drug (ID: DM5N04G)

• Drug Name: LT-1951
• Synonyms: Nona-arginine; Nona-l-arginine; UNII-PK7O6W0U44; 143413-47-2; PK7O6W0U44; (Arg)9; LT-1951; (Arg)9 peptide; H-ARG-ARG-ARG-ARG-ARG-ARG-ARG-ARG-ARG-OH; DB12648; L-Arginine, L-arginyl-L-arginyl-L-arginyl-L-arginyl-L-arginyl-L-arginyl-L-arginyl-L-arginyl-

Indication

Disease Entry	ICD 11	Status	REF
Coronary artery disease	BA80	Phase 1/2	[1]

• #Ro5 Violations (Lipinski): 5:
  Molecular Weight (mw); 1423.7
  Logarithm of the Partition Coefficient (xlogp); -15.8
  Rotatable Bond Count (rotbonds); 53
  Hydrogen Bond Donor Count (hbonddonor); 28
  Hydrogen Bond Acceptor Count (hbondacc); 20
• Chemical Identifiers:
  Formula: C54H110N36O10
  IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
  Canonical SMILES: C(C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)CN=C(N)N
  InChI: InChI=1S/C54H110N36O10/c55-28(10-1-19-74-46(56)57)37(91)83-29(11-2-20-75-47(58)59)38(92)84-30(12-3-21-76-48(60)61)39(93)85-31(13-4-22-77-49(62)63)40(94)86-32(14-5-23-78-50(64)65)41(95)87-33(15-6-24-79-51(66)67)42(96)88-34(16-7-25-80-52(68)69)43(97)89-35(17-8-26-81-53(70)71)44(98)90-36(45(99)100)18-9-27-82-54(72)73/h28-36H,1-27,55H2,(H,83,91)(H,84,92)(H,85,93)(H,86,94)(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,99,100)(H4,56,57,74)(H4,58,59,75)(H4,60,61,76)(H4,62,63,77)(H4,64,65,78)(H4,66,67,79)(H4,68,69,80)(H4,70,71,81)(H4,72,73,82)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
  InChIKey: XUNKPNYCNUKOAU-VXJRNSOOSA-N
• Cross-matching ID:
  PubChem CID: 25077438
  CAS Number: 143413-47-2
  DrugBank ID: DB12648
  TTD ID: D06HBT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Coronary artery disease
• ICD Disease Classification: BA80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

References

• [1] ClinicalTrials.gov (NCT00264706) PolyArginine Treated vEiN grafTs (PATENT). U.S. National Institutes of Health.
• [2] Critical role of L-arginine in endothelial cell survival during oxidative stress. Circulation. 2003 May 27;107(20):2607-14.