Bioactive Compound Details

BioIDbio46
NameLOSOXANTRONE
ChEMBL IDCHEMBL83520
Molecular FormulaC22H27N5O4
Molecular Weight425.49
Molecular Weight (Monoisotopic)425.2063
TypeSmall molecule
Max PhaseUnknown
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBIANTHRAZOLE|C-1941|LOSOXANTRONA|LOSOXANTRONE
SmilesO=C1c2c(O)cccc2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23
InchiInChI=1S/C22H27N5O4/c28-12-9-23-6-7-25-15-4-5-16-20-19(15)22(31)18-14(2-1-3-17(18)30)21(20)26-27(16)11-8-24-10-13-29/h1-5,23-25,28-30H,6-13H2
Inchi KeyYROQEQPFUCPDCP-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets7.0
Bioactivities12.0
Np Likeness Score-0.34
Records Key['8', 'Losoxantrone']
Records Name['7-Hydroxy-2-[2-(2-hydroxy-ethylamino)-ethyl]-5-[2-(2-hydroxy-ethylamino)-ethylamino]-2H-dibenzo[cd,g]indazol-6-one', '7-Hydroxy-2-[2-(2-hydroxy-ethylamino)-ethyl]-5-[2-(2-hydroxy-ethylamino)-ethylamino]-2H-dibenzo[cd,g]indazol-6-one']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure