Details of the Drug

General Information of Drug (ID: DM2H6KD)

• Drug Name: 10-methoxy-ginkgolide C
• Synonyms: 10-methoxy-ginkgolide C; CHEMBL221823

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 454.4
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C21H26O11
  IUPAC Name: (1R,3R,6R,7S,8S,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-9,12,17-trihydroxy-6-methoxy-16-methyl-2,4,14,18-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,19-trione
  Canonical SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34[C@]5([C@H]2O)[C@@H]([C@@H]([C@H]([C@@]56[C@H](C(=O)O[C@H]6O3)OC)C(C)(C)C)O)C(=O)O4)O
  InChI: InChI=1S/C21H26O11/c1-6-13(24)29-11-10(23)19-7-8(22)9(17(2,3)4)18(19)12(28-5)15(26)30-16(18)32-21(19,20(6,11)27)31-14(7)25/h6-12,16,22-23,27H,1-5H3/t6-,7+,8+,9+,10+,11+,12+,16+,18+,19+,20-,21+/m1/s1
  InChIKey: RYOIKJMKJWXJLR-XWGAEZTCSA-N
• Cross-matching ID:
  PubChem CID: 44420890
  TTD ID: D0M4ZK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycine receptor (GlyR)	TTZ8EM9	GLRA1_HUMAN ; GLRA2_HUMAN ; GLRA3_HUMAN ; GLRA4_HUMAN ; GLRB_HUMAN	Inhibitor	[1]
Strychnine-binding glycine receptor (GLRA1)	TTF45NW	GLRA1_HUMAN	Inhibitor	[1]

References

• [1] Probing the pharmacophore of ginkgolides as glycine receptor antagonists. J Med Chem. 2007 Apr 5;50(7):1610-7.