tigecycline   Click here for help

GtoPdb Ligand ID: 10929

Synonyms: GAR-936 | GAR936 | Tygacil® | WAY-GAR-936
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 205.76
Molecular weight 585.28
XLogP 1.39
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1cc(N(C)C)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CNC(C)(C)C
Isomeric SMILES O=C(Nc1cc(N(C)C)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CNC(C)(C)C
InChI InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1
InChI Key SOVUOXKZCCAWOJ-HJYUBDRYSA-N
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Summary of Clinical Use Click here for help
In the UK, tigecycline is indicated for the treatment of complicated skin and soft tissue infections (but NOT diabetic foot infections) and complicated intra-abdominal infections. Its use should be restricted for infections for which other antibiotics are not suitable.
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