Bioactive Compound Details

BioIDbio200177
NameNone
ChEMBL IDCHEMBL400183
Molecular FormulaC22H26N2O3
Molecular Weight366.46
Molecular Weight (Monoisotopic)366.1943
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Hydroxyethyl (3R,16S)-Apovincaminate
SmilesCC[C@@]12C=C(C(=O)OCCO)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42
InchiInChI=1S/C22H26N2O3/c1-2-22-9-5-10-23-11-8-16-15-6-3-4-7-17(15)24(19(16)20(22)23)18(14-22)21(26)27-13-12-25/h3-4,6-7,14,20,25H,2,5,8-13H2,1H3/t20-,22-/m0/s1
Inchi KeyWBEVCQPAHIHTRP-UNMCSNQZSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities6.0
Np Likeness Score0.84
Records Key['7b, RGH-10885']
Records Name['2-hydroxyethyl (3R,16S)-apovincaminate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure