TP-271   Click here for help

GtoPdb Ligand ID: 11013

Synonyms: TP271
Compound class: Synthetic organic
Comment: TP-271 is a fully synthetic fluorocycline antibacterial. It has activity against pathogens that cause respiratory tract infections, including complicated community-acquired bacterial pneumonia [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 193.73
Molecular weight 558.21
XLogP 0.89
No. Lipinski's rules broken 2
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Canonical SMILES CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(F)cc(c(c3C(=C1C2=O)O)O)NC(=O)[C@@H]1CCCN1C)O)O)C(=O)N)C
Isomeric SMILES CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(F)cc(c(c3C(=C1C2=O)O)O)NC(=O)[C@@H]1CCCN1C)O)O)C(=O)N)C
InChI InChI=1S/C27H31FN4O8/c1-31(2)19-12-8-10-7-11-13(28)9-14(30-26(39)15-5-4-6-32(15)3)20(33)17(11)21(34)16(10)23(36)27(12,40)24(37)18(22(19)35)25(29)38/h9-10,12,15,19,33-34,37,40H,4-8H2,1-3H3,(H2,29,38)(H,30,39)/t10-,12-,15-,19-,27-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo TP-271
Other databases
CAS Registry No. 1207284-17-0 (source: hemIDplus)
ChEMBL Ligand CHEMBL2057236
DrugBank Ligand DB15040
GtoPdb PubChem SID 405560454
PubChem CID 54726193
Search Google for chemical match using the InChIKey VIWUYPVRNWIKLS-HMFHYXQTSA-N
Search Google for chemicals with the same backbone VIWUYPVRNWIKLS
UniChem Compound Search for chemical match using the InChIKey VIWUYPVRNWIKLS-HMFHYXQTSA-N
UniChem Connectivity Search for chemical match using the InChIKey VIWUYPVRNWIKLS-HMFHYXQTSA-N