Details of the Drug

General Information of Drug (ID: DMTEU0L)

• Drug Name: Sul-Pro-Phe-N-MeHis-LVA-Ile-Amp

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 1129.4
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 33
  Hydrogen Bond Donor Count; 6
  Hydrogen Bond Acceptor Count; 13
• Chemical Identifiers:
  Formula: C56H85N10NaO11S
  IUPAC Name: sodium;2-[[8-[2-[[1-[[1-[[5-hydroxy-2,8-dimethyl-7-[[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-8-oxooctanoyl]-methylamino]ethanesulfonate
  Canonical SMILES: CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC2=CN=CN2)N(C)C(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)[O-])O)C(C)C.[Na+]
  InChI: InChI=1S/C56H86N10O11S.Na/c1-9-39(6)51(55(73)59-35-41-22-17-18-26-58-41)63-52(70)43(38(4)5)33-48(67)44(30-37(2)3)61-54(72)47(32-42-34-57-36-60-42)65(8)56(74)45(31-40-20-13-12-14-21-40)62-53(71)46-23-19-27-66(46)50(69)25-16-11-10-15-24-49(68)64(7)28-29-78(75,76)77;/h12-14,17-18,20-22,26,34,36-39,43-48,51,67H,9-11,15-16,19,23-25,27-33,35H2,1-8H3,(H,57,60)(H,59,73)(H,61,72)(H,62,71)(H,63,70)(H,75,76,77);/q;+1/p-1
  InChIKey: RCOSBSCBKACBAF-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 23712949
  TTD ID: D0A3LJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensinogenase renin (REN)	TTB2MXP	RENI_HUMAN	Inhibitor	[1]

References

• [1] Renin inhibitory peptides. Incorporation of polar, hydrophilic end groups into an active renin inhibitory peptide template and their evaluation in ... J Med Chem. 1991 Feb;34(2):633-42.
• [2] Comparative effects of aliskiren-based and ramipril-based therapy on the renin system during long-term (6 months) treatment and withdrawal in patie... J Renin Angiotensin Aldosterone Syst. 2009 Sep;10(3):157-67.
• [3] Functional expression of the renin-angiotensin system in human podocytes. Am J Physiol Renal Physiol. 2006 Mar;290(3):F710-9.
• [4] Effect of SPP 635, a renin inhibitor, on intraocular pressure in glaucomatous monkey eyes. Exp Eye Res. 2012 Jan;94(1):146-9.
• [5] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800033655)
• [6] Effects of a renin inhibitor, SR 43845, and of captopril on blood pressure and plasma active renin in conscious sodium-replete macaca. J Hypertens Suppl. 1989 Apr;7(2):S33-5.
• [7] Synergistic effect on reduction in blood pressure with coadministration of the renin inhibitor, CP-80,794, and the angiotensin converting enzyme inhibitor, captopril. J Cardiovasc Pharmacol. 1992 Jul;20(1):75-82.
• [8] New Developments in the Pharmacological Treatment of Hypertension: Dead-End or a Glimmer at the Horizon . Curr Hypertens Rep. 2015; 17(6): 42.
• [9] Drug-drug interaction study of ACT-178882, a new renin inhibitor, and diltiazem in healthy subjects. Clin Drug Investig. 2013 Mar;33(3):207-13.
• [10] 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: 2413).
• [11] Antihypertensive efficacy of FK906, a novel human renin inhibitor. Clin Ther. 1993 May-Jun;15(3):539-48.