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
Structure
3D MOL 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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