Bioactive Compound Details

BioIDbio37793
NameNITROGLYCERIN
ChEMBL IDCHEMBL730
Molecular FormulaC3H5N3O9
Molecular Weight227.08
Molecular Weight (Monoisotopic)227.0026
TypeSmall molecule
Max PhasePhase 4
Target IDTar8
Target NameMucosal addressin cell adhesion molecule 1 (MADCAM1)
SynonymsC01DA02|CHLORMETHINE OXIDE HYDROCHLORIDE|CORO-NITRO|DEPONIT 10|DEPONIT 5|DILUTED NITROGLYCERIN|GLONOINUM|GLYCERYL TRINITRATE|GLYCERYL TRINITRATE SOLUTION|GLYTRIN|GONITRO|Glyceryl Trinitrate|IMX-150|LENITRAL 7.5|MECHLORETHAMINE OXIDE HCL|MINITRAN|MINITRAN 10|MINITRAN 15|MINITRAN 5|MITOMEN|MUSTRON|NATIROSE|NITORA|NITRIDERM TTS|NITRO IV|NITRO-BID|NITRO-DUR|NITRO-MACK RET|NITROCINE|NITROCONTIN CONTINUS|NITROGLYCERIN|NITROGLYCERIN TABLETS|NITROL|NITROLINGUAL|NITROLINGUAL PUMPSPRAY|NITROMIN|NITROMIN HYDROCHLORIDE|NITROMIST|NITRONAL|NITROSTAT|Nitroglycerin|PERCUTOL|RECTIV|RECTOGESIC|SUSCARD BUCCAL|SUSTAC|TRANSDERM-NITRO|TRANSIDERM-NITRO 10|TRANSIDERM-NITRO 5|TRIDIL|TRINITRIN|TRINITRIN TABLETS|TRINITRINE|TRINTEK 10|TRINTEK 15|TRINTEK 5|Transderm-Nitro
SmilesO=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
InchiInChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
Inchi KeySNIOPGDIGTZGOP-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets35.0
Bioactivities115.0
Np Likeness Score-0.04
Records Key['GTN', '1 - Nitroglycerin', 'GTN', 'NITROGLYCERIN', 'GTN', 'GTN (glyceryl trinitrate)', 'Glycerol trinitrate', 'GTN', '18, GTN', 'Nitroglycerine', 'Nitroglycerol', 'GTN', 'GTN', 'nitroglycerin', '14', '47', 'GTN', 'Nitroglycerin', '16, GTN', 'Nitroglycerin', 'nitroglycerin', 'GTN', 'NITROGLYCERIN', 'GTN', 'Nitroglycerin', 'GTN', 'GTN', 'Glycerol trinitrate', 'GTN', 'Glycerol trinitrate', 'NITROGLYCERIN', 'GTN', 'Nitroglycerin', 'GTN', 'Nitroglycerin', 'GTN', 'NITROGLYCERIN', 'GTN', 'NITROGLYCERIN', 'COVC-3362504748']
Records Name['1,2,3-Tris-nitrooxy-propane', '1,2,3-Tris-nitrooxy-propane', '1,2,3-Tris-nitrooxy-propane', 'NITROGLYCERIN', '1,2,3-Tris-nitrooxy-propane', '1,2,3-Tris-nitrooxy-propane', '1,2,3-Tris-nitrooxy-propane', '1,2,3-Tris-nitrooxy-propane', 'glycerol trinitrate', '1,2,3-Tris-nitrooxy-propane (Nitroglycerine)', '1,2,3-Tris-nitrooxy-propane', 'glyceryl trinitrate', 'nitroglycerin', '1,2,3-tris-nitrooxy-propane', 'glycerol trinitrite', 'trinitroglycerin', 'glyceryl trinitrate', 'Nitroglycerin', 'glycerol trinitrate', 'Nitroglycerin', 'nitroglycerin', 'Glyceryl trinitrate', 'NITROGLYCERIN', 'Nitroglycerin', 'Nitroglycerin', 'Glyceryltrinitrate', 'Glycerol trinitrate', '1,2,3-Tris-nitrooxy-propane', '1,2,3-Tris-nitrooxy-propane', '1,2,3-Tris-nitrooxy-propane (Glycerol trinitrate)', 'NITROGLYCERIN', 'Glyceryl trinitrate', 'Nitroglycerin', 'Glyceryl trinitrate', 'Nitroglycerin', 'glyceryl trinitrate', 'NITROGLYCERIN', 'Glyceryl trinitrate', 'NITROGLYCERIN', 'NITROGLYCERIN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure