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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: DELTIBANT

Compound Identifier: 703574

Mol Structure 2D: 703574

Molecular Weight: 2805

Formula: C128 H194 N40 O28 S2

Development Status: Clinical, Phase II/III

SMILES: CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CSC2CC(=O)N(CCCCCCN3C(=O)CC(SCC(NC(=O)C(Cc4ccccc4)NC(=O)CNC(=O)C5CC(O)CN5C(=O)C6CCCN6C(=O)C(CCCNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc7ccccc7)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O)C3=O)C2=O)NC(=O)C(Cc8ccccc8)NC(=O)CNC(=O)C9CC(O)CN9C(=O)C%10CCCN%10C(=O)C(CCCNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100223192D 0 0.00000 0.00000 0^^202211 0 1 0 999 V2000^ -1.3208 1.7000 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.2458 -1.8042 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.8792 -0.6667 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.8792 0.6250 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.4208 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3458 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8333 1.6333 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.7583 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.9542 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9000 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6667 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6250 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7833 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6958 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0833 1.7583 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.9958 -1.8542 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.6625 1.4458 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.5958 -1.5625 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.5542 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6042 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2125 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2917 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7250 0.9708 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.7792 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.9792 -1.5375 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.9000 1.5083 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.4250 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5042 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7167 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8042 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3667 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4667 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7875 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.7042 1.7208 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.3833 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2833 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2417 1.8583 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.3292 -1.8792 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.9167 2.0958 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.0042 -2.0875 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.0833 -2.0875 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.1833 1.9583 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.8958 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8208 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7167 -2.3375 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.6167 2.3708 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.5917 -2.1125 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.5000 2.1000 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.3542 -2.1000 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.2667 2.1208 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.9458 2.0583 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.8458 -2.1875 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.2917 -1.8167 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.2042 1.7708 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.9208 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9500 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0292 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1667 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7958 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8958 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0292 -1.5875 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.0458 1.5250 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.0792 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9667 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3583 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4458 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9625 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0500 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7792 -1.2167 0.0000 S 0 0 0 0 0 0 0 0 0^ 0.7250 1.1833 0.0000 S 0 0 0 0 0 0 0 0 0^ -0.1708 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2458 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5750 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.6583 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.8292 -2.5792 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.7167 2.6125 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.2625 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2000 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2417 3.5625 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.6708 3.0833 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.3792 -3.5417 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.5458 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.1833 1.1208 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.1208 -1.2917 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.1042 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1542 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.9042 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9750 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5042 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4375 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6083 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5125 -2.2125 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.4542 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3875 1.4083 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.7542 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3292 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4500 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3792 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6750 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2167 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.3833 2.3375 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2833 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1833 -2.2125 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.2750 2.1083 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.5417 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6417 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3417 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8708 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9375 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0667 2.8125 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1917 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5000 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4167 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1750 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.2625 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5375 -2.1625 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.6250 2.0083 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.9500 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.0833 2.9208 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.1792 -3.1542 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.6833 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.0417 3.1708 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.7458 1.1500 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.4583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3833 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8708 -3.4792 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.8167 3.5250 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.9333 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.9542 -3.5167 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.8833 -0.9375 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.0083 3.3458 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.0583 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9833 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0042 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1917 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0875 2.3708 0.0000 O 0 0 0 0 0 0 0 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-2.7458 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7458 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6625 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1292 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2375 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0583 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1583 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4250 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1375 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2417 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9167 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0625 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9583 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3500 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4625 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6458 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5625 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0000 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9917 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9500 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9375 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0667 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2333 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2500 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9667 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3750 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0750 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3250 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0458 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1417 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1625 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2708 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0167 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5333 1.2333 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.8458 1.8500 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.7625 -1.9417 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.4625 -1.2625 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 16 1 0 0 0^ 3136 1 0 0 0^ 4 10 1 0 0 0^ 5 1 1 0 0 0^ 6 2 1 0 0 0^ 7 17 1 0 0 0^ 8 18 1 0 0 0^ 9 3 1 0 0 0^ 10 23 1 0 0 0^ 11 3 1 0 0 0^ 12 19 1 0 0 0^ 13 7 1 0 0 0^ 14 8 1 0 0 0^ 15 1 1 0 0 0^ 16 44 1 0 0 0^ 17 5 1 0 0 0^ 18 6 1 0 0 0^ 19 23 1 0 0 0^ 20 11 1 0 0 0^ 21 26 1 0 0 0^ 22 25 1 0 0 0^ 23 70 1 1 0 0^ 24 9 1 0 0 0^ 25 88 1 1 0 0^ 26 34 1 0 0 0^ 27 54 1 0 0 0^ 28 33 1 0 0 0^ 29 48 1 0 0 0^ 30 47 1 0 0 0^ 31 50 1 0 0 0^ 32 49 1 0 0 0^ 33 25 1 0 0 0^ 34 27 1 0 0 0^ 35 42 1 0 0 0^ 36 41 1 0 0 0^ 37 21 1 0 0 0^ 38 22 1 0 0 0^ 39 29 1 0 0 0^ 40 30 1 0 0 0^ 41 52 1 0 0 0^ 42 51 1 0 0 0^ 43 15 1 0 0 0^ 44 73 1 0 0 0^ 45 32 1 0 0 0^ 46 31 1 0 0 0^ 47 38 1 0 0 0^ 48 37 1 0 0 0^ 49 40 1 0 0 0^ 50 39 1 0 0 0^ 51 13 1 0 0 0^ 52 14 1 0 0 0^ 53 28 1 0 0 0^ 54 62 1 0 0 0^ 55120 1 0 0 0^ 56124 1 0 0 0^ 57123 1 0 0 0^ 58121 1 0 0 0^ 59119 1 0 0 0^ 60122 1 0 0 0^ 61 53 1 0 0 0^ 62 72 1 0 0 0^ 63 75 1 0 0 0^ 64 76 1 0 0 0^ 65 2 1 0 0 0^ 66 1 1 0 0 0^ 67 16 1 0 0 0^ 68 15 1 0 0 0^ 24 69 1 1 0 0^ 70 87 1 0 0 0^ 71 61 1 0 0 0^ 72125 1 0 0 0^ 73126 1 0 0 0^ 74 43 1 0 0 0^ 75 45 1 0 0 0^ 76 46 1 0 0 0^ 77 5 2 0 0 0^ 78 6 2 0 0 0^ 79 57 2 0 0 0^ 80 55 2 0 0 0^ 81 58 2 0 0 0^ 82 59 2 0 0 0^ 83 56 2 0 0 0^ 84 60 2 0 0 0^ 85 10 2 0 0 0^ 86 9 2 0 0 0^ 26 87 1 6 0 0^ 88 69 1 0 0 0^ 89 12 2 0 0 0^ 90 11 2 0 0 0^ 91 13 2 0 0 0^ 92 14 2 0 0 0^ 93 22 2 0 0 0^ 94 21 2 0 0 0^ 95 30 2 0 0 0^ 96 32 2 0 0 0^ 97 28 2 0 0 0^ 98 27 2 0 0 0^ 99 29 2 0 0 0^100 31 2 0 0 0^101 35 2 0 0 0^102 36 2 0 0 0^103 67 1 0 0 0^104 66 1 0 0 0^ 48105 1 6 0 0^ 47106 1 1 0 0^ 53107 1 6 0 0^ 54108 1 1 0 0^109 44 2 0 0 0^110 43 2 0 0 0^111 64 2 0 0 0^112 63 2 0 0 0^ 49113 1 1 0 0^ 50114 1 6 0 0^115 71 2 0 0 0^116 72 2 0 0 0^117 36 1 0 0 0^118 35 1 0 0 0^119158 1 0 0 0^120160 1 0 0 0^121159 1 0 0 0^122162 1 0 0 0^123161 1 0 0 0^124157 1 0 0 0^125 74 1 0 0 0^126 71 1 0 0 0^127 59 1 0 0 0^128 57 1 0 0 0^129 56 1 0 0 0^130 58 1 0 0 0^131 60 1 0 0 0^132 55 1 0 0 0^133 7 1 0 0 0^134 8 1 0 0 0^135 4 1 0 0 0^136173 1 0 0 0^137 63 1 0 0 0^138 64 1 0 0 0^139118 1 0 0 0^140117 1 0 0 0^141108 1 0 0 0^142105 1 0 0 0^143107 1 0 0 0^144106 1 0 0 0^145 17 1 0 0 0^146 18 1 0 0 0^103147 1 1 0 0^104148 1 6 0 0^149146 1 0 0 0^150145 1 0 0 0^ 51151 1 1 0 0^ 52152 1 6 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