Details of the Drug

General Information of Drug (ID: DMDRSFE)

• Drug Name: Ametantrone
• Synonyms: Ametantrone; 64862-96-0; Ametantrone [INN]; NSC-196473; NSC 196473; Ametantronum [INN-Latin]; Ametantrona [INN-Spanish]; UNII-PNT6041ST1; BRN 2791800; PNT6041ST1; C22H28N4O4; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthraquinone; 1,4-Bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione; 9,10-Anthracenedione,1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthracene-9,10-dione; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-anthracenedione; Ametantronum

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 412.5
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C22H28N4O4
  IUPAC Name: 1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
  Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO
  InChI: InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2
  InChIKey: FFGSXKJJVBXWCY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2134
  CAS Number: 64862-96-0
  TTD ID: D03NXV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN ; TOP2B_HUMAN	Intercalator	[1]

References

• [1] Interactions of antitumor agents Ametantrone and Mitoxantrone (Novatrone) with double-stranded DNA. Biochem Pharmacol. 1985 Dec 15;34(24):4203-13.