IBD Research Resource Center

BioID	bio4163
Name	CITICOLINE
ChEMBL ID	CHEMBL1231700
Molecular Formula	C14H26N4O11P2
Molecular Weight	488.33
Molecular Weight (Monoisotopic)	488.1073
Type	Small molecule
Max Phase	Phase 3
Target ID	Tar21
Target Name	Inflammation pathogenesis (IP)
Synonyms	CDP-CHOLINE\|CITICOLINA\|CITICOLINE\|CYTIDINE 5'-DIPHOSPHATE CHOLINE\|Cytidine-5'-Diphosphocholine\|IP 302\|IP-302\|NICHOLIN\|NSC-122002
Smiles	C[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
Inchi	InChI=1S/C14H26N4O11P2/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)/t9-,11-,12-,13-/m1/s1
Inchi Key	RZZPDXZPRHQOCG-OJAKKHQRSA-N
Molecular Species	ACID
Targets	54.0
Bioactivities	86.0
Np Likeness Score	1.37
Records Key	['CITICOLINE', 'Citicoline', 'SID90340858', 'Citicoline', 'citicoline, CDP-choline', 'Citicoline', 'CITICOLINE', 'citicoline', 'citicoline', 'CITICOLINE', 'citicoline', 'citicoline', 'CITICOLINE']
Records Name	['CITICOLINE', 'Citicoline', 'SID90340858', 'Citicoline', Cytidine-5'-diphosphocholine", 'Citicoline', 'CITICOLINE', 'citicoline', 'citicoline', 'CITICOLINE', 'citicoline', 'citicoline', 'CITICOLINE']"
Withdrawn Flag	False
Orphan	0