IBD Research Resource Center

BioID	bio3083
Name	SERATRODAST
ChEMBL ID	CHEMBL70972
Molecular Formula	C22H26O4
Molecular Weight	354.45
Molecular Weight (Monoisotopic)	354.1831
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	A-73001\|AA-2414\|ABBOTT 73001\|ABBOTT-73001\|ABT-001\|BRONICA\|NSC-759640\|SERATRODAST
Smiles	CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O
Inchi	InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)
Inchi Key	ZBVKEHDGYSLCCC-UHFFFAOYSA-N
Molecular Species	ACID
Targets	96.0
Bioactivities	1113.0
Np Likeness Score	0.7
Records Key	['1', 'SID50125893', '4d', '3152', 'SID170465940', 'SERATRODAST', 'SERATRODAST', 'Seratrodast', 'SERATRODAST', '8', 'SID144206327', 'SERATRODAST', 'Seratrodast', 'Seratrodast', 'EUB0000800a', 'COVC-0141084694', 'EUB0000800a', 'EUB0000800a', 'EUB0000800a', 'seratrodast']
Records Name	['7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-heptanoic acid', 'SID50125893', '7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-heptanoic acid', None, 'SID170465940', 'SERATRODAST', 'SERATRODAST', 'Seratrodast', 'SERATRODAST', 'Seratrodast', 'SID144206327', 'SERATRODAST', 'Seratrodast', 'Seratrodast', 'SERATRODAST', 'SERATRODAST', 'SERATRODAST', 'SERATRODAST', 'SERATRODAST', 'seratrodast']
Withdrawn Flag	False
Orphan	0