Details of the Drug

General Information of Drug (ID: DMCNOJV)

• Drug Name: Sar-Arg-Val-Tyr-Ile-His-Pro-Ala
• Synonyms: Sar-Arg-Val-Tyr-Ile-His-Pro-Ala; 53935-10-7; [Sar1,Ala8]-ANGIOTENSIN II; DTXSID10657524; N-Methylglycyl-N~5~-(diaminomethylidene)ornithylvalyltyrosylisoleucylhistidylprolylalanine--acetic acid (1/1)

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 986.1
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 26
  Hydrogen Bond Donor Count; 13
  Hydrogen Bond Acceptor Count; 15
• Chemical Identifiers:
  Formula: C45H71N13O12
  IUPAC Name: acetic acid;2-[[1-[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
  Canonical SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(C)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC.CC(=O)O
  InChI: InChI=1S/C43H67N13O10.C2H4O2/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45;1-2(3)4/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48);1H3,(H,3,4)
  InChIKey: RWZZWAGPSKCDPN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44134544
  CAS Number: 53935-10-7
  TTD ID: D0K7DW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor type-2 (AGTR2)	TTQVOEI	AGTR2_HUMAN	Inhibitor	[1]

References

• [1] Synthesis and structure-activity relationships of a novel series of non-peptide angiotensin II receptor binding inhibitors specific for the AT2 sub... J Med Chem. 1991 Nov;34(11):3248-60.