Drug General Information
Drug ID
D0Q6RG
Former ID
DNC001416
Drug Name
TD-1792
Drug Type
Small molecular drug
Indication Gram-positive bacterial infection [ICD9:] Phase 2 [521976]
Company
Theravance
Structure
Download
2D MOL

3D MOL

Formula
C87H98Cl6N16O28S2
Canonical SMILES
CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C<br />(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C<br />9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)NCCCON=C(<br />C1=C(SC(=N1)N)Cl)C(=O)NC1C2N(C1=O)C(=C(CS2)C[N+]1=CC=CC<br />=C1)C(=O)[O-])O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O<br />)(C)N)O.Cl.Cl.Cl
InChI
1S/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(115)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)131-50-15-12-37(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)95-16-9-19-128-104-61(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;;;/h6-8,10-15,17-18,21-27,33-34,45-46,53,55,57-59,62-64,66-69,71-72,83,85,94,107,112-116H,9,16,19-20,28-32,93H2,1-5H3,(H15-,91,92,95,96,97,98,99,100,101,102,103,104,108,109,110,111,117,118,119,120,121,122,123,124,126,127);3*1H/t34-,45+,46-,53+,55-,57+,58+,59+,62+,63-,64+,66+,67+,68+,69-,71+,72+,83+,85-,87-;;;/m0.../s1
InChIKey
XTZMJKCZQBCZDY-DORHKSKDSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) D-alanyl-D-alanine carboxypeptidase Target Info Inhibitor [536773]
References
Ref 521976ClinicalTrials.gov (NCT00442832) TD-1792 in Gram-positive Complicated Skin and Skin Structure Infection. U.S. National Institutes of Health.
Ref 536773How many modes of action should an antibiotic have? Curr Opin Pharmacol. 2008 Oct;8(5):564-73. Epub 2008 Jul 30.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.