Bioactive Compound Details

BioIDbio1976
NameKETANSERIN
ChEMBL IDCHEMBL51
Molecular FormulaC22H22FN3O3
Molecular Weight395.43
Molecular Weight (Monoisotopic)395.1645
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsKETANSERIN|KETANSERIN TARTRATE|KETANSERINA|KETANSERINE|KJK 945|NSC-758959|PERKETAN|R 49945|R-41,468|R-41468|R-49945|SEREPRESS|SUFREXAL
SmilesO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
InchiInChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
Inchi KeyFPCCSQOGAWCVBH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets156.0
Bioactivities504.0
Np Likeness Score-1.37
Records Key['ketanserin', 'Ketanserin', 'ketanserin', 'ketanserin', 'ketanserin', '1', 'ketanserin', 'Ketanserin', '15', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'ketanserin', 'ketanserin', 'ketanserine', 'Ketanserin', 'ketanserin', '58', '28 ketanserin', 'ketanserin', 'ketanserin', 'ketanserin', '11', 'ketanserin', 'ketanserin', '7', 'ketanserine', 'ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', '42 (Ketanserin)', 'Ketanserin', 'SID26747132', '179', 'ketanserine', 'Ketanserin', '32, Ketanserin', 'Ketanserin', 'ketanserin', 'ketanserin', 'ketanserin', 'SID50103875', 'ketanserin', 'ketanserin', 'Ketanserin', 'SID50104634', 'Ketanserin', 'Ketanserin', 'SID90340810', 'SID144204416', 'SID11113781', 'Ketanserin', 'ketanserin', 'SID26755333', 'SID26751962', 'Ketanserin', 'Ketanserin', 'SID104171396', '804', 'SID170466645', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'KETANSERIN', 'Ketanserin', '53', 'KETANSERIN', 'SID26747133', 'ketanserin', 'Ketanserin', 'Ketanserin', 'ketanserin', 'Ketanserin', 'KETANSERIN', 'ketanserin', 'Ketanserin', 'Ketanserin', 'ketanserine', '54, Ketanserin', '1', 'Ketanserin', 'Ketanserine', 'Ketanserin', 'Ketanserin', 'ketanserin', 'Ketanserin', 'ketanserin', 'Ketanserin', 'Ketanserin', 'ketanserin', 'Ketanserin', 'Ketanserin', 'KET', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'ketanserin', 'ketanserin', 'KET', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'KETANSERIN', 'KETANSERIN', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'KETANSERIN', 'Ketanserin', 'KETANSERIN', 'Ketanserin', 'KETANSERIN', 'KETANSERIN', 'Ketanserin', 'Ketanserin', 'KETANSERIN', 'COVC-3899221832', 'Ketanserin', 'Ketanserin', '12', 'ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', '74', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'Ketanserin', 'BA1000552', 'Ketanserin']
Records Name['3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione (Ketanserin)', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', 'HTR5A3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione (ketanserin)', 'Ketanserin', 'Ketanserin', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-4a,8a-dihydro-1H-quinazoline-2,4-dione', 'ketanserine', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione (Ketanserin)', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione (ketanserin)', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione (ketanserin)', 'ketanserin', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', 'Ketanserin', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', 'Ketanserin', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', 'SID26747132', 'Ketanserin', 'ketanserine', 'Ketanserin', '3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1H-quinazoline-2,4-dione', 'Ketanserin', '3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1H,3H)-dione', '3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)quinazol
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure