Bioactive Compound Details

BioIDbio198755
NameNone
ChEMBL IDCHEMBL610293
Molecular FormulaC28H29NO4
Molecular Weight443.54
Molecular Weight (Monoisotopic)443.2097
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms7-(2'-Spiroindanyl)Naltrexone
SmilesO=C1[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)CC12Cc1ccccc1C2
InchiInChI=1S/C28H29NO4/c30-20-8-7-17-11-21-28(32)15-26(12-18-3-1-2-4-19(18)13-26)24(31)25-27(28,22(17)23(20)33-25)9-10-29(21)14-16-5-6-16/h1-4,7-8,16,21,25,30,32H,5-6,9-15H2/t21-,25+,27+,28-/m1/s1
Inchi KeyWLGQGKOZUDOESI-NZHOUOPXSA-N
Molecular SpeciesBASE
Targets13.0
Bioactivities41.0
Np Likeness Score1.09
Records Key['4 (SINTX)', '5', '2']
Records Name[7-(2'-spiroindanyl)naltrexone", "17-(cyclopropylmethyl)4,5-alpha-epoxy-3,14-dihydroxymorphinan-6-one-7-spiro-2'-indan", 'Naltrexone derivative']"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure