Bioactive Compound Details

BioIDbio4162
NameCITICOLINE SODIUM
ChEMBL IDCHEMBL1256994
Molecular FormulaC14H25N4NaO11P2
Molecular Weight510.31
Molecular Weight (Monoisotopic)488.1073
TypeSmall molecule
Max PhasePhase 3
Target IDTar21
Target NameInflammation pathogenesis (IP)
SynonymsCDP-CHOLIN|CITICOLINE|CITICOLINE SODIUM|CITICOLINE SODIUM SALT|IP 302 SODIUM|IP-302 SODIUM
SmilesC[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.[Na+]
InchiInChI=1S/C14H26N4O11P2.Na/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21;/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25);/q;+1/p-1/t9-,11-,12-,13-;/m1./s1
Inchi KeyYWAFNFGRBBBSPD-OCMLZEEQSA-M
Molecular SpeciesACID
Targets5.0
Bioactivities5.0
Np Likeness Score1.37
Records Key['Citicoline sodium', 'SID144206990', 'CITICOLINE SODIUM', 'SID855585', 'CITICOLINE SODIUM']
Records Name['Citicoline sodium', 'SID144206990', 'CITICOLINE SODIUM', 'SID855585', 'CITICOLINE SODIUM']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure