Viewing Compound With Structures

Home Icon Home Search Icon Search Certify Doc Icon Certify Doc Certify Doc Icon Genes Certify Doc Icon Clinical Trials Certify Doc Icon CompTox Processes Icon DrugMatrix Open Targets Icon Open Targets Processes Icon Products Support Icon Support Bugs Icon Bugs
Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: TAK-536
Compound Identifier: 703616
Mol Structure 2D: 703616
Molecular Weight: 456
Formula: C25 H20 N4 O5
Development Status: Clinical, Phase II/III
SMILES: CCOc1nc2cccc(C(=O)O)c2n1Cc3ccc(cc3)c4ccccc4c5nc(=O)o[nH]5
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223192D 0 0.00000 0.00000 0^^ 34 38 0 0 0 999 V2000^ -1.4000 1.3958 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.8250 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0000 0.3125 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.4000 3.0583 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.2042 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4375 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3208 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4375 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6917 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3667 0.2833 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.2042 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3208 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6917 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2917 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3625 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2667 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2208 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.2000 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4375 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3625 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4833 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4625 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2083 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4833 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4375 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3208 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1042 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2917 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2083 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1000 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1042 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2042 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9792 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 5 2 0 0 0^ 4 2 2 0 0 0^ 5 11 1 0 0 0^ 6 1 1 0 0 0^ 7 6 1 0 0 0^ 8 6 2 0 0 0^ 9 3 1 0 0 0^ 10 5 1 0 0 0^ 11 14 2 0 0 0^ 12 7 1 0 0 0^ 13 10 1 0 0 0^ 14 16 1 0 0 0^ 15 1 1 0 0 0^ 16 21 2 0 0 0^ 17 9 2 0 0 0^ 18 12 2 0 0 0^ 19 2 1 0 0 0^ 20 25 2 0 0 0^ 21 26 1 0 0 0^ 22 15 1 0 0 0^ 23 12 1 0 0 0^ 24 7 2 0 0 0^ 25 22 1 0 0 0^ 26 22 2 0 0 0^ 27 8 1 0 0 0^ 28 11 1 0 0 0^ 29 14 1 0 0 0^ 30 27 2 0 0 0^ 31 19 1 0 0 0^ 32 33 1 0 0 0^ 33 29 2 0 0 0^ 34 31 1 0 0 0^ 4 8 1 0 0 0^ 16 20 1 0 0 0^ 30 24 1 0 0 0^ 32 28 2 0 0 0^ 9 13 1 0 0 0^M END^^
Structure View
View