Bioactive Compound Details

BioIDbio200550
NameMESALAMINE
ChEMBL IDCHEMBL704
Molecular FormulaC7H7NO3
Molecular Weight153.14
Molecular Weight (Monoisotopic)153.0426
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsAPRISO|ASACOL|ASACOL HD|BENZOIC ACID, 5-AMINO-2-HYDROXY-|CANASA|COLTEC EC|DELZICOL|FISALAMINE|IIALDA|IPOCOL|LIALDA|MAX-002|MESALAMINE|MESALAZINA|MESALAZINE|MESALAZINE |MESREN MR|MEZAVANT XL|NSC-38877|OCTASA|PENTASA|PENTASA SR|ROWASA|SALOFALK|SFROWASA
SmilesNc1ccc(O)c(C(=O)O)c1
InchiInChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
Inchi KeyKBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular SpeciesACID
Targets110.0
Bioactivities395.0
Np Likeness Score0.23
Records Key['5', '22', '5-Aminosalicylic Acid', '5-ASA', '3 (5-ASA)', '5-aminosalicylic acid', 'Pentasa', 'mesalazine', '5-ASA', '5-ASA', '3', 'SID26752847', 'SID170464840', '5-aminosalicylic acid', '5-ASA', '5-aminosalicylic acid', '5-ASA', 'Mes', 'SID144208808', 'SID144203935', '5-ASA', '5-Aminosalicylic acid', 'MESALAZINE', 'Mesalamine', 'SID17389224', '5-ASA, mesalamine', 'MESALAMINE', '5-ASA, Pentasa', 'SID11112235', 'SID104171289', 'SID144213442', '5-ASA', 'Mesalazine', 'Mesalazine', '12', 'Mesalamine (Lialda)', 'MESALAMINE', 'ME', 'Mesalamine', 'Mesalamine', 'Mesalazine, Mesalamine', '4', 'Mesalamine', '5-aminosalicylate', 'S2', '5-ASA', 'MESALAMINE', '4', 'Mesalamine', '13, mesalamine', '5-ASA', '5-ASA', 'MESALAMINE', '5-ASA', '5-ASA', 'SID49681712', '5-ASA', 'Mesalazine', '23', 'MESALAMINE (LIALDA)', 'Mesalamine (Lialda)', 'MESALAMINE', '5-ASA', '5-ASA', 'Mesalazine', 'SAM001247020', 'Mesalazine', '1; MS', '5-Aminosalicylic acid', '5-ASA', 'COVC-3362382829', '5-ASA', 'Mesalazine', '98; 5-ASA', 'Mesalamine (Lialda)', 'MESALAMINE', '5-ASA', 'mesalazine', 'BA1000932', '5-ASA']
Records Name['5-aminosalicylic acid', 'Mesalamine', '5-Aminosalicylic Acid', '5-aminosalicylic acid', '5-Amino-2-hydroxy-benzoic acid', '5-Amino-2-hydroxy-benzoic acid', '5-aminosalicylic acid', '5-amino-2-hydroxybenzoic acid', '2-Hydroxy-5-[4-(pyridin-2-ylsulfamoyl)-phenylazo]-benzoic acid', '5-aminosalicylic acid', '5-amino-2-hydroxybenzoic acid', 'SID26752847', 'SID170464840', '5-amino-2-hydroxybenzoic acid', '5-aminosalicylic acid', '5-aminosalicylic acid', '5-amino salicylic acid', 'Mesalamine', 'SID144208808', 'SID144203935', '5-aminosalicylic acid', '5-Aminosalicylic acid', 'MESALAZINE', 'Mesalamine', 'SID17389224', '5-aminosalycilic acid', 'MESALAMINE', '5-Aminosalicylic acid', 'SID11112235', 'SID104171289', 'SID144213442', '5-aminosalicylic acid', 'Mesalazine', 'Mesalazine', '5-amino-2-hydroxybenzoic acid', 'Mesalamine (Lialda)', 'MESALAMINE', 'Mesalazine', 'Mesalamine', 'Mesalamine', '5-aminosalicylic acid', '5-amino-2-hydroxybenzoic acid', 'Mesalamine', '5-aminosalicylate', 'mesalazine', '5-aminosalicylic acid', 'MESALAMINE', '5-aminosalicylic acid', 'Mesalamine', '5-amino-2-hydroxybenzoic acid', '5-aminosalicylic acid', '5-aminosalicylic acid', 'MESALAMINE', '5-aminosalicylic acid', '5-aminosalicylic acid; Mesalazine', 'SID49681712', '5-aminosalicylicacid', 'Mesalazine', 'Mesalamine', 'MESALAMINE (LIALDA)', 'Mesalamine (Lialda)', 'MESALAMINE', '5-Aminosalicylate', '5-Aminosalicylate', 'Mesalazine', 'C0164483', 'Mesalazine', 'Mesalamine', '5-Aminosalicylic acid', 'Aminosalicylate', 'MESALAZINE', '5-Aminosalicylic acid', 'Mesalazine', 'Mesalazine', 'Mesalamine (Lialda)', 'MESALAMINE', '5-aminosalicylic acid', 'mesalazine', 'MESALAMINE', '5-aminosalicylic acid']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure