Details of the Drug

General Information of Drug (ID: DMXGY4F)

• Drug Name: N-methyl ryanodine-succinamidate
• Synonyms: N-methyl ryanodine-succinamidate; CHEMBL432278

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); 606.7
  Logarithm of the Partition Coefficient (xlogp); -0.7
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C30H42N2O11
  IUPAC Name: [(2R,7S,12R)-6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-2-[4-(methylamino)-4-oxobutanoyl]oxy-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)CCC(=O)NC)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
  InChI: InChI=1S/C30H42N2O11/c1-15(2)27(38)22(42-21(35)17-8-7-13-32-17)28(39)23(4)14-26(37)24(27,5)30(28,40)29(43-26)20(16(3)11-12-25(23,29)36)41-19(34)10-9-18(33)31-6/h7-8,13,15-16,20,22,32,36-40H,9-12,14H2,1-6H3,(H,31,33)/t16?,20-,22-,23+,24?,25?,26?,27?,28?,29?,30?/m1/s1
  InChIKey: RWAKHARTDYCRMC-QYQZIFBLSA-N
• Cross-matching ID:
  PubChem CID: 44275929
  TTD ID: D05VJH

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.