Therapeutic Targets Database
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TTD Drug ID: DNC001416

Drug Information
NameTD-1792
CompanyTheravance
IndicationBacterial infections
[ICD9: 001-009, 010-018, 020-027, 030-041, 080-088, 090-099, 100-104   ICD10: A00-A09, A15-A19, A20-A28, A30-A49, A65-A69, A70-A74, A75-A79]
Experimental    
Structure

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InChI1S/C87H95Cl3N16O28S2.3ClH/c1-33(2)20-45(94-5)74(117)100-62-66(112
)36-11-14-49(43(88)22-36)130-51-24-38-25-52(70(51)134-85-71(69(11
5)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)13
1-50-15-12-37(23-44(50)89)67(113)63-81(124)99-59(42-26-40(108)27-
48(110)56(42)41-21-35(10-13-47(41)109)57(77(120)101-63)98-78(121)
58(38)97-75(118)46(28-54(91)111)96-80(62)123)76(119)95-16-9-19-12
8-104-61(60-73(90)136-86(92)103-60)79(122)102-64-82(125)106-65(84
(126)127)39(32-135-83(64)106)30-105-17-7-6-8-18-105;;;/h6-8,10-15
,17-18,21-27,33-34,45-46,53,55,57-59,62-64,66-69,71-72,83,85,94,1
07,112-116H,9,16,19-20,28-32,93H2,1-5H3,(H15-,91,92,95,96,97,98,9
9,100,101,102,103,104,108,109,110,111,117,118,119,120,121,122,123
,124,126,127);3*1H/t34-,45+,46-,53+,55-,57+,58+,59+,62+,63-,64+,6
6+,67+,68+,69-,71+,72+,83+,85-,87-;;;/m0.../s1
InChIKeyXTZMJKCZQBCZDY-DORHKSKDSA-N
Canonical SMILESCC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)
NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)
O)NC7=O)C(=O)NCCCON=C(C1=C(SC(=N1)N)Cl)C(=O)NC1C2N(C1=O)C(=C(CS2)C[N+]1=
CC=CC=C1)C(=O)[O-])O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.Cl.
Cl.Cl    
Isomeric SMILESC[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=
C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]
7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9[C@@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=
C1)Cl)O)NC7=O)C(=O)NCCCO/N=C(/C1=C(SC(=N1)N)Cl)\C(=O)N[C@H]1[C@@H]2N(C1=
O)C(=C(CS2)C[N+]1=CC=CC=C1)C(=O)[O-])O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)
O)Cl)CO)O)O)(C)N)O.Cl.Cl.Cl
PubChem Compound IDCID 44201348.
PubChem Substance IDSID 85197647.
TargetD-alanyl-D-alanine carboxypeptidaseInhibitor[1]
Ref 1How many modes of action should an antibiotic have? Curr Opin Pharmacol. 2008 Oct;8(5):564-73. Epub 2008 Jul 30. To Reference



 

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