tilmicosin (CHEBI:195409)

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CHEBI:195409 - tilmicosin

ChEBI ID	CHEBI:195409
ChEBI Name	tilmicosin
Stars
Definition	A macrolide antibiotic with formula C₄₆H₈₀N₂O₁₃. It is used for the treatment of respiratory disease in cattle at high risk of developing bovine respiratory disease associated with Mannheimia haemolytica.
Last Modified	20 July 2023
Submitter	Adnan
Downloads	Molfile

Formula	C46H80N2O13
Net Charge	0
Average Mass	869.147
Monoisotopic Mass	868.56604
SMILES	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
InChI	InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1
InChIKey	JTSDBFGMPLKDCD-XVFHVFLVSA-N

Wikipedia

Roles Classification

Biological Roles:

calcium channel blocker One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.

cardiotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the heart and cardiomyocytes.

antibacterial drug A drug used to treat or prevent bacterial infections.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

Application:

antibacterial drug A drug used to treat or prevent bacterial infections.

ChEBI Ontology

Outgoing Relation(s)
	tilmicosin (CHEBI:195409) has role antibacterial drug (CHEBI:36047)
	tilmicosin (CHEBI:195409) has role calcium channel blocker (CHEBI:38215)
	tilmicosin (CHEBI:195409) has role cardiotoxic agent (CHEBI:50912)
	tilmicosin (CHEBI:195409) is a enone (CHEBI:51689)
	tilmicosin (CHEBI:195409) is a macrolide antibiotic (CHEBI:25105)
	tilmicosin (CHEBI:195409) is a monosaccharide derivative (CHEBI:63367)

IUPAC Name
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-11-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-1-oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside

INNs	Source
tilmicosin	WHO MedNet
tilmicosina	WHO MedNet
tilmicosine	WHO MedNet
tilmicosinum	WHO MedNet

Synonyms	Source
20-deoxy-20-(3,5-dimethylpiperidin-1-yl)-desmycosin	VSDB
antibiotic EL 870	ChEBI
EL 870	ChEBI
EL-870	DrugBank
EL870	DrugBank
LY 177370	ChEBI

Brand Name	Source
Micotil	ChEBI

Manual Xrefs	Databases
1856	VSDB
4445656	ChemSpider
D02492	KEGG DRUG
DB11471	DrugBank
Tilmicosin	Wikipedia

Registry Numbers	Sources
CAS:108050-54-0	DrugBank

Citations