Bioactive Compound Details

BioIDbio13450
NameRABEPRAZOLE SODIUM
ChEMBL IDCHEMBL1200930
Molecular FormulaC18H20N3NaO3S
Molecular Weight381.43
Molecular Weight (Monoisotopic)359.1304
TypeSmall molecule
Max PhasePhase 4
Target IDTar6
Target NameE-selectin (SELE)
SynonymsACIPHEX|ACIPHEX SPRINKLE|E-3810|E-3810 SODIUM|IDIAZOLE|LY-307640|LY-307640 SODIUM|LY307640 SODIUM|NSC-759270|PARIET|RABEPRAZOLE NA|RABEPRAZOLE SODIUM|RABEPRAZOLE SODIUM SALT|SODIUM RABEPRAZOLE
SmilesCOCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]
InchiInChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
Inchi KeyKRCQSTCYZUOBHN-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets29.0
Bioactivities61.0
Np Likeness Score-0.57
Records Key['SID170464736', 'SID144205289', 'Rabeprazole Sodium', 'RABEPRAZOLE SODIUM', 'Rabeprazole sodium', 'RABEPRAZOLE (SODIUM)', 'RABEPRAZOLE SODIUM', 'SID144212634', 'RABEPRAZOLE SODIUM', 'SID49666380', 'Rabeprazole (sodium)', 'Rabeprazole sodium', 'Rabeprazole (sodium)', 'RABEPRAZOLE SODIUM']
Records Name['SID170464736', 'SID144205289', 'Rabeprazole Sodium', 'RABEPRAZOLE SODIUM', 'Rabeprazole sodium', 'RABEPRAZOLE (SODIUM)', 'RABEPRAZOLE SODIUM', 'SID144212634', 'RABEPRAZOLE SODIUM', 'SID49666380', 'Rabeprazole (sodium)', 'Rabeprazole sodium', 'Rabeprazole (sodium)', 'RABEPRAZOLE SODIUM']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure