Bioactive Compound Details

BioIDbio1398
NameIANTHELLIFORMISAMINE C
ChEMBL IDCHEMBL2047174
Molecular FormulaC30H38Br4N4O4
Molecular Weight838.27
Molecular Weight (Monoisotopic)833.9627
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIanthelliformisamine C
SmilesCOc1c(Br)cc(/C=C/C(=O)NCCCNCCCCNCCCNC(=O)/C=C/c2cc(Br)c(OC)c(Br)c2)cc1Br
InchiInChI=1S/C30H38Br4N4O4/c1-41-29-23(31)17-21(18-24(29)32)7-9-27(39)37-15-5-13-35-11-3-4-12-36-14-6-16-38-28(40)10-8-22-19-25(33)30(42-2)26(34)20-22/h7-10,17-20,35-36H,3-6,11-16H2,1-2H3,(H,37,39)(H,38,40)/b9-7+,10-8+
Inchi KeyYHBLZPCROBSJLL-FIFLTTCUSA-N
Molecular SpeciesBASE
Targets5.0
Bioactivities12.0
Np Likeness Score-0.03
Records Key['3', '1, RAD168']
Records Name['ianthelliformisamine C', 'Ianthelliformisamine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure