IBD Research Resource Center

BioID	bio2513
Name	DALTROBAN
ChEMBL ID	CHEMBL71685
Molecular Formula	C16H16ClNO4S
Molecular Weight	353.83
Molecular Weight (Monoisotopic)	353.0489
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	BM 13.505\|BM-13505\|BM13505\|DALTROBAN\|Daltroban\|SK&F 96148\|SKF-96148\|SKF96148
Smiles	O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
Inchi	InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
Inchi Key	IULOBWFWYDMECP-UHFFFAOYSA-N
Molecular Species	ACID
Targets	26.0
Bioactivities	52.0
Np Likeness Score	-1.15
Records Key	['BM13.505', '9', 'SID144205815', 'Daltroban', 'SID170466199', 'daltroban', 'SID50111705', 'DALTROBAN', '28(BM-13505)', 'DALTROBAN', 'daltroban', 'daltroban', 'daltroban', 'EUB0001848a', 'EUB0001848a']
Records Name	['{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid', '(daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid', 'SID144205815', '{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid', 'SID170466199', '{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid', 'SID50111705', 'DALTROBAN', '{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-acetic acid', 'DALTROBAN', 'daltroban', 'daltroban', 'daltroban', 'Daltroban', 'Daltroban']
Withdrawn Flag	False
Orphan	0