Bioactive Compound Details

BioIDbio198413
NameRIBOPRINE
ChEMBL IDCHEMBL452867
Molecular FormulaC15H21N5O4
Molecular Weight335.36
Molecular Weight (Monoisotopic)335.1594
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsIPA|N6-(2-ISOPENTENYL)-ADENOSINE|N6-Isopentenyladenosine|NSC-105546|RIBOPRINA|RIBOPRINE
SmilesCC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InchiInChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
Inchi KeyUSVMJSALORZVDV-SDBHATRESA-N
Molecular SpeciesNEUTRAL
Targets11.0
Bioactivities48.0
Np Likeness Score1.2
Records Key['1a', '7g', 'N6-(3-methyl-2-butenyl)-adenosine', 'Riboprine', '2b', 'SID170466472', 'RIBOPRINE', 'iPA', 'XXII, 6-DMAA', '2b', 'i6A', '31']
Records Name['(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol', '2-Hydroxymethyl-5-[6-(3-methyl-but-2-enylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol', '2-Hydroxymethyl-5-[6-(3-methyl-but-2-enylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol', 'Riboprine', 'N6-Isopentenyladenosine', 'SID170466472', 'RIBOPRINE', 'N6-Isopentenyladenosine', '6-(gama,gama-dimethylallylamino)purine riboside', '(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol', 'N6-isopentenyladenosine', 'N6-isopentenyladenosine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure