Details of the Drug

General Information of Drug (ID: DMEK07T)

• Drug Name: (+)-Myristinin D
• Synonyms: (+)-Myristinin D; CHEMBL448072; Myristinis D; Myristinin D; AC1LAXHR; BDBM50250427; 9-phenyl-1-[2,4,6-trihydroxy-3-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-yl]phenyl]nonan-1-one; 9-phenyl-1-[2,4,6-trihydroxy-3-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]nonan-1-one; 1-Nonanone, 1-[3-[(2S,4R)-3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxyphenyl]-9-phenyl-

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); 582.7
  Logarithm of the Partition Coefficient (xlogp); 8.7
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C36H38O7
  IUPAC Name: 9-phenyl-1-[2,4,6-trihydroxy-3-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]nonan-1-one
  Canonical SMILES: C1[C@H](C2=C(C=C(C=C2)O)O[C@@H]1C3=CC=C(C=C3)O)C4=C(C(=C(C=C4O)O)C(=O)CCCCCCCCC5=CC=CC=C5)O
  InChI: InChI=1S/C36H38O7/c37-25-16-14-24(15-17-25)32-21-28(27-19-18-26(38)20-33(27)43-32)34-30(40)22-31(41)35(36(34)42)29(39)13-9-4-2-1-3-6-10-23-11-7-5-8-12-23/h5,7-8,11-12,14-20,22,28,32,37-38,40-42H,1-4,6,9-10,13,21H2/t28-,32+/m1/s1
  InChIKey: NWJOIWGNEIDTTG-NSJVFKKDSA-N
• Cross-matching ID:
  PubChem CID: 497362
  TTD ID: D0WV3D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	Inhibitor	[1]

References

• [1] (+)-Myristinins A and D from Knema elegans, which inhibit DNA polymerase beta and cleave DNA. J Nat Prod. 2005 Nov;68(11):1625-8.