Bioactive Compound Details

BioIDbio26870
NameZAFIRLUKAST
ChEMBL IDCHEMBL603
Molecular FormulaC31H33N3O6S
Molecular Weight575.69
Molecular Weight (Monoisotopic)575.209
TypeSmall molecule
Max PhasePhase 4
Target IDTar13
Target NameTumor necrosis factor receptor type I (TNF-R1)
SynonymsACCOLATE|ICI 204,219|ICI-204,219|ICI-204219|ZAFIRLUKAST
SmilesCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
InchiInChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
Inchi KeyYEEZWCHGZNKEEK-UHFFFAOYSA-N
Molecular SpeciesACID
Targets238.0
Bioactivities765.0
Np Likeness Score-0.95
Records Key['Zafirlukast', '1', '2, ICI-204219', 'Zafirlukast', 'Zafirlukast', '1', '1', 'ICI-204219', 'zafirlukast', '1', '6, ICI-204219', '20 (IC-204219)', '2, ICI-204219', '45', '1', 'ICI-204219 Zafirlukast', '8', 'SID26757966', 'SID49681658', 'SID170464673', 'Zafirlukast', 'SID144205729', 'SID174007053', 'zafirlukast', 'SID26719823', 'ZAFIRLUKAST', 'Zafirlukast', 'ZAFIRLUKAST', 'Zafirlukast (Accolate)', 'Z', 'Zafirlukast', 'ZAFIRLUKAST', 'zafirlukast', '22 (table 2)', 'Zafirlukast', 'Zafirlukast', 'A, zafirlukast', 'Zafirlukast', 'zafirlukast', 'ZAFIRLUKAST', 'ZAFIRLUKAST', 'ZAFIRLUKAST', 'Zafirlukast', 'ZAFIRLUKAST', 'Zafirlukast', 'Zafirlukast', '1', 'ZAFIRLUKAST', 'Zafirlukast (Accolate)', '34', 'Zafirlukast', 'SAM001246577', 'Zafirlukast', 'Zafirlukast', 'ZAFIRLUKAST (ACCOLATE)', 'Zafirlukast', 'Accolate', 'Zafirlukast', '12c', 'Zafirlukast (Accolate)', 'COVC-2288940997', 'EUB0000407a', 'ZAF; CPd Z', '1; ZAF', 'EUB0000407a', 'Zafirlukast', 'zafirlukast', 'ZAF', 'Zafirlukast', '50', 'zafirlukast', '15', 'BA1000165', 'EUB0000407a', 'EUB0000407a']
Records Name['{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', 'Zafirlukast', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', 'zafirlukast', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester (IC 204219)', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', 'SID26757966', 'SID49681658', 'SID170464673', 'Zafirlukast', 'SID144205729', 'SID174007053', 'zafirlukast', 'SID26719823', 'ZAFIRLUKAST', 'Zafirlukast', 'ZAFIRLUKAST', 'Zafirlukast (Accolate)', 'Zafirlukast', 'Zafirlukast', 'Zafirlukast', 'zafirlukast', '{3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester', 'Zafirlukast', 'Zafirlukast', '{3-[2-Methoxy-4-toluene-2-sulfonylaminocarbonyl-benzyl]-1-methyl-1Hindol-5-yl}carbamic acid cyclopentyl ester', 'Zafirlukast', 'zafirlukast', 'ZAFIRLUKAST', 'ZAFIRLUKAST', 'ZAFIRLUKAST', 'Zafirlukast', 'ZAFIRLUKAST', 'Zafirlukast', 'Zafirlukast', 'Zafirlukast', 'ZAFIRLUKAST', 'Zafirlukast (Accolate)', 'cyclopentyl 3-(2-methoxy-4-(o-tolylsulfonylcarbamoyl)be
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure