Bioactive Compound Details

BioIDbio3146
NamePRANLUKAST
ChEMBL IDCHEMBL21333
Molecular FormulaC27H23N5O4
Molecular Weight481.51
Molecular Weight (Monoisotopic)481.175
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAZLAIRE|CCN 00401|CCN-00401|ONO 1078|ONO-1078|PRANLUKAST|RS 411|RS-411|SB 205312|SB-205312
SmilesO=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1
InchiInChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
Inchi KeyNBQKINXMPLXUET-UHFFFAOYSA-N
Molecular SpeciesACID
Targets79.0
Bioactivities274.0
Np Likeness Score-0.89
Records Key['21(ONO-RS-411)', '1 (pranlukast)', 'ONO-1078', '3', '2', 'ONO-1078', '7', 'B, pranlukast', 'pranlukast', 'pranlukast', 'SID144206505', '2', 'Pranlukast', 'SID50126316', 'pranlukast', '13', 'Pranlukast', 'ONO-1078', 'PRANLUKAST', 'SH40', '41, (ONO-1078)', 'Pranlukast', '19h, ONO-RS-411', 'pranlukast', 'Pranlukast', 'PRANLUKAST', 'PRANLUKAST', 'PRANLUKAST', 'PRANLUKAST', 'Pranlukast', 'PRANLUKAST', 'Pranlukast hydrate脗', 'Pranlukast', 'pranlukast', 'Pranlukast hydrate脢', 'Pranlukast', 'PRANLUKAST', 'EUB0000424a', 'EUB0000424a', 'COVC-2822184796', 'EUB0000424a', 'Pranlukast', 'Pranlukast', '88', 'BA1000119', 'pranlukast', 'Pranlukas', 'pranlukast']
Records Name['N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide (ONO-RS-411)', 'N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide', 'ONO-1078', 'N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide', 'N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide', 'N-[4-Oxo-2-(1H-tetrazol-5-yl)-4a,8a-dihydro-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide', 'N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide', '8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5-yl)-4-oxo-4H-1-benzopyran', 'pranlukast', 'pranlukast', 'SID144206505', 'N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide', 'Pranlukast', 'SID50126316', 'pranlukast', 'Pranlukast', 'Pranlukast', 'ONO-1078', 'PRANLUKAST', 'N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide', 'N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide', 'N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide', 'N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenyl-butoxy)-benzamide (ONO-RS-411)', 'pranlukast', 'Pranlukast', 'PRANLUKAST', 'PRANLUKAST', 'PRANLUKAST', 'PRANLUKAST', 'Pranlukast', 'PRANLUKAST', 'Pranlukast hydrate脗', 'Pranlukast', 'pranlukast', 'Pranlukast hydrate脢', 'Pranlukast', 'PRANLUKAST', 'PRANLUKAST', 'PRANLUKAST', 'PRANLUKAST', 'PRANLUKAST', 'Pranlukast', 'Pranlukast', None, 'PRANLUKAST', 'Pranlukast', 'N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide', 'pranlukast']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure