Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Q6RG
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| Former ID |
DNC001416
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| Drug Name |
TD-1792
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| Drug Type |
Small molecular drug
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| Indication | Gram-positive bacterial infection [ICD9:] | Phase 2 | [521976] | ||
| Company |
Theravance
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| Structure |
|
Download2D MOL |
|||
| Formula |
C87H98Cl6N16O28S2
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| 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
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| 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
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| InChIKey |
XTZMJKCZQBCZDY-DORHKSKDSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | D-alanyl-D-alanine carboxypeptidase | Target Info | Inhibitor | [536773] | |
| References | |||||
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