Bioactive Compound Details

BioIDbio105
NameNone
ChEMBL IDCHEMBL612160
Molecular FormulaC17H21N5O13P2
Molecular Weight565.33
Molecular Weight (Monoisotopic)565.0611
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms9-C(Eeta)Adpr
SmilesO=P1([O-])OC[C@H]2OC([C@H](O)[C@@H]2O)[n+]2ccn3cnc4c(ncn4C4O[C@H](COP(=O)(O)O1)[C@@H](O)[C@H]4O)c32
InchiInChI=1S/C17H21N5O13P2/c23-10-7-3-31-36(27,28)35-37(29,30)32-4-8-11(24)13(26)17(34-8)22-6-18-9-14(22)19-5-20-1-2-21(15(9)20)16(33-7)12(10)25/h1-2,5-8,10-13,16-17,23-26H,3-4H2,(H-,27,28,29,30)/t7-,8-,10-,11-,12-,13-,16?,17?/m1/s1
Inchi KeyJYHIBDCGUQDEJB-CNEXJUNVSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score0.72
Records Key['9-c(eeta)ADPR']
Records Name['9-c(eeta)ADPR']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure