Bioactive Compound Details

BioIDbio2437
NameSULOTROBAN
ChEMBL IDCHEMBL8273
Molecular FormulaC16H17NO5S
Molecular Weight335.38
Molecular Weight (Monoisotopic)335.0827
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBM 13.177|BM-13.177|BM-13177|SK&F 95587|SULOTROBAN|Sulotroban
SmilesO=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1
InchiInChI=1S/C16H17NO5S/c18-16(19)12-22-14-8-6-13(7-9-14)10-11-17-23(20,21)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)
Inchi KeyXTNWJMVJVSGKLR-UHFFFAOYSA-N
Molecular SpeciesACID
Targets12.0
Bioactivities58.0
Np Likeness Score-1.22
Records Key['4 (BM 13177)', 'BM-13177', 'BM-13177 (Sulotroban)', '1', '2', '6', 'sulotroban', '4', 'Sulotroban', 'BM-13177', '105 (Sulotroban)', 'BM-13177', '33', '2', '2 (sulotroban)', 'sulotroban', 'SULOTROBAN', 'COVC-3362059764']
Records Name['[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid (BM 13177)', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid (Sulotroban)', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid (Sulotroban)', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid (Sulotroban)', '[4-(2-Benzenesulfonylamino-ethyl)-phenoxy]-acetic acid (Sulotroban)', 'SULOTROBAN', 'SULOTROBAN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure