The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

tigecycline

Synonyms

(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide

(4S,4aS,5aR,12aS)-9-[2-(tert-butylamino)acetamido]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

C29H39N5O8

(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

ID

http://purl.obolibrary.org/obo/CHEBI_149836

AHFScode

08:12.24

altId

CHEBI:29696

CHEBI:473970

ATCCode

J01AA12

CASRN

220620-09-7

DBBrand

tygacil

DBname

tigecycline

DBSynonym

gar-936,tigecycline

way-gar-936

gar-936

Definition

Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms.

has effect

http://purl.obolibrary.org/obo/OAE_0001273

http://purl.obolibrary.org/obo/OAE_0001057

http://purl.obolibrary.org/obo/OAE_0000505

http://purl.obolibrary.org/obo/OAE_0000355

http://purl.obolibrary.org/obo/OAE_0000400

http://purl.obolibrary.org/obo/OAE_0000390

http://purl.obolibrary.org/obo/OAE_0000401

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0001333

http://purl.obolibrary.org/obo/OAE_0000632

http://purl.obolibrary.org/obo/OAE_0000252

http://purl.obolibrary.org/obo/OAE_0000218

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0000920

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0000391

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0001046

http://purl.obolibrary.org/obo/OAE_0001449

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0001256

http://purl.obolibrary.org/obo/OAE_0000557

http://purl.obolibrary.org/obo/OAE_0000406

http://purl.obolibrary.org/obo/OAE_0001707

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0001742

http://purl.obolibrary.org/obo/OAE_0000468

http://purl.obolibrary.org/obo/OAE_0000811

http://purl.obolibrary.org/obo/OAE_0000780

http://purl.obolibrary.org/obo/OAE_0000375

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0000630

http://purl.obolibrary.org/obo/OAE_0001297

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0000469

http://purl.obolibrary.org/obo/OAE_0000343

http://purl.obolibrary.org/obo/OAE_0001393

http://purl.obolibrary.org/obo/OAE_0000308

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0001217

http://purl.obolibrary.org/obo/OAE_0000194

http://purl.obolibrary.org/obo/OAE_0001298

http://purl.obolibrary.org/obo/OAE_0000911

http://purl.obolibrary.org/obo/OAE_0000195

http://purl.obolibrary.org/obo/OAE_0000382

http://purl.obolibrary.org/obo/OAE_0000403

http://purl.obolibrary.org/obo/OAE_0000414

http://purl.obolibrary.org/obo/OAE_0001059

http://purl.obolibrary.org/obo/OAE_0000460

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0000243

http://purl.obolibrary.org/obo/OAE_0000453

http://purl.obolibrary.org/obo/OAE_0000879

http://purl.obolibrary.org/obo/OAE_0001243

http://purl.obolibrary.org/obo/OAE_0000454

http://purl.obolibrary.org/obo/OAE_0001026

http://purl.obolibrary.org/obo/OAE_0000498

http://purl.obolibrary.org/obo/OAE_0000394

http://purl.obolibrary.org/obo/OAE_0000086

http://purl.obolibrary.org/obo/OAE_0001062

http://purl.obolibrary.org/obo/OAE_0001073

http://purl.obolibrary.org/obo/OAE_0001387

http://purl.obolibrary.org/obo/OAE_0000166

http://purl.obolibrary.org/obo/OAE_0000660

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000536

http://purl.obolibrary.org/obo/OAE_0001055

http://purl.obolibrary.org/obo/OAE_0000825

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000584

http://purl.obolibrary.org/obo/OAE_0000779

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0001420

http://purl.obolibrary.org/obo/OAE_0000618

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0000551

has pharmacological target

http://purl.obolibrary.org/obo/dinto_1191

http://purl.obolibrary.org/obo/dinto_1428

http://purl.obolibrary.org/obo/dinto_2852

http://purl.obolibrary.org/obo/dinto_1427

http://purl.obolibrary.org/obo/dinto_1426

http://purl.obolibrary.org/obo/dinto_2863

has role

http://purl.obolibrary.org/obo/CHEBI_36047

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/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1

InChIKey

InChIKey=FPZLLRFZJZRHSY-HJYUBDRYSA-N

label

tigecycline

may interact with

http://purl.obolibrary.org/obo/CHEBI_10033

http://purl.obolibrary.org/obo/CHEBI_4513

http://purl.obolibrary.org/obo/CHEBI_15367

http://purl.obolibrary.org/obo/CHEBI_133809

http://purl.obolibrary.org/obo/CHEBI_50859

http://purl.obolibrary.org/obo/CHEBI_53766

prefixIRI

obo2:CHEBI_149836

prefLabel

tigecycline

related with

http://purl.obolibrary.org/obo/dinto_1191

http://purl.obolibrary.org/obo/dinto_1428

http://purl.obolibrary.org/obo/dinto_2852

http://purl.obolibrary.org/obo/dinto_1427

http://purl.obolibrary.org/obo/dinto_1426

http://purl.obolibrary.org/obo/dinto_2863

SMILES

[H][C@@]12CC3=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C

[H][C@@]12Cc3c(cc(NC(=O)CNC(C)(C)C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C

Synonym

(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide

(4S,4aS,5aR,12aS)-9-[2-(tert-butylamino)acetamido]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

C29H39N5O8

(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

xref

ChEMBL:17210772

ChemSpider:4445273

ChEMBL:17194827

ChEBI:149836

PubChem Substance:46509041

ChEMBL:17307973

Wikipedia:http://en.wikipedia.org/wiki/Tigecycline

PubChem Compound:5282044

ChEMBL:17353238

KEGG COMPOUND:C12012

RxList:http://www.rxlist.com/cgi/generic4/tygacil.htm

ChEMBL:17353249

DrugBank:DB00560

Drugs.com:http://www.drugs.com/cdi/tigecycline.html

CASRN:220620-09-7

KEGG DRUG:D01079

ChEMBL:17220399

Reaxys:8379453

PharmGKB:PA164746412

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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http://purl.bioontology.org/ontology/NDDF/010833 NDDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C72865 NCIT LOOM
http://purl.bioontology.org/ontology/UATC/J01AA12 ATC LOOM
http://purl.obolibrary.org/obo/CHEBI_149836 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_149836 PHIPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_149836 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_149836 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_149836 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_149836 CHEBI SAME_URI
http://purl.bioontology.org/ontology/MESH/D000078304 MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU019077 LOINC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C119092 RH-MESH LOOM
http://purl.obolibrary.org/obo/ARO_0000030 ARO LOOM
http://purl.bioontology.org/ontology/VANDF/4024922 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000023105 NDFRT LOOM
http://purl.bioontology.org/ontology/RXNORM/384455 RXNORM LOOM
http://purl.bioontology.org/ontology/LNC/LP36048-4 LOINC LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000699049 PDQ LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/418313005 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/DRON_00018826 DRON LOOM