Bioactive Compound Details

BioIDbio3284
NameTEZAMPANEL ANHYDROUS
ChEMBL IDCHEMBL14935
Molecular FormulaC13H21N5O2
Molecular Weight279.34
Molecular Weight (Monoisotopic)279.1695
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsLY-293,558|LY-293558|NGX-424|NGX424|TEZAMPANEL ANHYDROUS
SmilesO=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
InchiInChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
Inchi KeyZXFRFPSZAKNPQQ-YTWAJWBKSA-N
Molecular SpeciesACID
Targets20.0
Bioactivities94.0
Np Likeness Score0.52
Records Key['9', '1', '(-)-LY-293558', '(-)1', '(-)-9 (LY-293558)', '2', '(+/-)5', '(-)-LY-293559', '(-)-LY-293558', '(+/-)1', '18, LY-293558', '131', '(-)-LY-293558', '(-)-LY-293558', 'LY293558', 'TEZAMPANEL ANHYDROUS']
Records Name['(3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', '(3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', '(2S,4aS,7R,8aR)-7-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-naphthalene-2-carboxylic acid', '(3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', '(-)-6-[2-(5H-[1,2,3]Triazol-4-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', '6-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', '(3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', '(3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', '(3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', '(3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-isoquinoline-3-carboxylic acid', 'tezampanel', 'tezampanel', '7-[2-(1H-Tetrazol-5-yl)-ethyl]-decahydro-naphthalene-2-carboxylic acid', '6-[2-(1H-1,2,3,4-tetraazol-5-yl)ethyl]-(3S,4aR,6R,8aR)-perhydro-3-isoquinolinecarboxylic acid', 'Tezampanel', 'TEZAMPANEL ANHYDROUS']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure