Details of the Drug

General Information of Drug (ID: DMTOCXZ)

• Drug Name: GLYCYLRYANODINE
• Synonyms: glycylryanodine; CHEMBL283836

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 550.6
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C27H38N2O10
  IUPAC Name: [(2R,7S,12R)-2-(2-aminoacetyl)oxy-6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
  Canonical SMILES: CC1CCC2([C@@]3(CC4(C5(C([C@H](C3(C5(C2([C@@H]1OC(=O)CN)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
  InChI: InChI=1S/C27H38N2O10/c1-13(2)24(34)19(38-18(31)15-7-6-10-29-15)25(35)20(4)12-23(33)21(24,5)27(25,36)26(39-23)17(37-16(30)11-28)14(3)8-9-22(20,26)32/h6-7,10,13-14,17,19,29,32-36H,8-9,11-12,28H2,1-5H3/t14?,17-,19-,20+,21?,22?,23?,24?,25?,26?,27?/m1/s1
  InChIKey: XNUMBOKCFNVRAL-MPGPDOFNSA-N
• Cross-matching ID:
  PubChem CID: 44275859
  TTD ID: D05QKM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ryanodine receptor 1 (RYR1)	TTU5CIX	RYR1_HUMAN	Inhibitor	[1]

References

• [1] Amino- and guanidinoacylryanodines: basic ryanodine esters with enhanced affinity for the sarcoplasmic reticulum Ca(2+)-release channel. J Med Chem. 1993 May 14;36(10):1319-23.