Bioactive Compound Details

BioIDbio720
NameAPLYSINONE C
ChEMBL IDCHEMBL229729
Molecular FormulaC24H25Br3N4O8
Molecular Weight737.2
Molecular Weight (Monoisotopic)733.9223
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAplysinone C
SmilesCOC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCCCNC(=O)C1=NO[C@]3(C=C(Br)C(=O)[C@@H]4O[C@@H]43)C1)=NO2
InchiInChI=1S/C24H25Br3N4O8/c1-36-17-12(26)8-23(19(33)15(17)27)9-13(30-38-23)21(34)28-5-3-2-4-6-29-22(35)14-10-24(39-31-14)7-11(25)16(32)18-20(24)37-18/h7-8,18-20,33H,2-6,9-10H2,1H3,(H,28,34)(H,29,35)/t18-,19-,20-,23+,24+/m0/s1
Inchi KeyGSUVKSRKZPOPBP-DRRHGHKVSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities9.0
Np Likeness Score1.5
Records Key['8']
Records Name['aplysinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure