IBD Research Resource Center

BioID	bio3003
Name	UAB-30
ChEMBL ID	CHEMBL3098771
Molecular Formula	C20H22O2
Molecular Weight	294.39
Molecular Weight (Monoisotopic)	294.162
Type	Small molecule
Max Phase	Phase 1
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	(9Z)-UAB-30\|9-CIS-UAB30\|9CUAB30\|RETINOID 9CUAB30\|UAB-30\|UAB30
Smiles	CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCc2ccccc21
Inchi	InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+
Inchi Key	PPGNMFUMZSAZCW-VOYUZAMQSA-N
Molecular Species	ACID
Targets	7.0
Bioactivities	24.0
Np Likeness Score	1.02
Records Key	['UAB30', '9cUAB30', 'UAB-30', '9cUAB30, 9-cis-UAB30', '25; 9-cis-UAB30', 'UAB30; 9cUAB30']
Records Name	[(2E,4E,6Z,8Z)-8-(3',4'-Dihydro-1'(2H)-naphthalen-1'-ylidene)-3,7-dimethyl-2,3,6-octatrienoinic acid", "(2E,4E,6Z,8E)-8-(3',4'-Dihydro-1'(2'H)-naphthalen-1'-ylidene)-3,7-dimethyl-2,4,6-octatrienoic acid", 'UAB-30', '(2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid', '(2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid', "(2E,4E,6Z,8E)-8-(3',4'-dihydro-1'(2'H)-naphthalen-1'-ylidene)-3,7-dimethyl-2,4,6-octatrienoic acid"]"
Withdrawn Flag	False
Orphan	0