The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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Preferred Name

tacrolimus (anhydrous)
Synonyms

tacrolimus anhydrous

FK506

(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone

8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN

FK 506

tacrolimus

Prograf

C44H69NO12

(-)-FK 506

(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone

Tacrolimus
ID

http://purl.obolibrary.org/obo/CHEBI_61049
AHFScode

84:92.00

92:00.00
altId

CHEBI:42555

CHEBI:4958
ATCCode

L04AD02

D11AH01
CASRN

104987-11-3
DBBrand

hecoria

advagraf

prograf

protopic
DBname

tacrolimus
DBSalt

tacrolimus hydrate
DBSynonym

k506

fk5

fk-506
Definition

Tacrolimus is a macrolide containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis.
has pharmacological target

http://purl.obolibrary.org/obo/dinto_3513
has role

http://purl.obolibrary.org/obo/CHEBI_35705
InChI

InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
InChIKey

InChIKey=QJJXYPPXXYFBGM-LFZNUXCKSA-N
induces

http://purl.obolibrary.org/obo/dinto_1440
inhibits

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1440

http://purl.obolibrary.org/obo/dinto_3513
is metabolised by

http://purl.obolibrary.org/obo/dinto_2990

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1956
is substrate of

http://purl.obolibrary.org/obo/dinto_3582

http://purl.obolibrary.org/obo/dinto_0217
is transported by

http://purl.obolibrary.org/obo/dinto_1783

http://purl.obolibrary.org/obo/dinto_1440
label

tacrolimus (anhydrous)
may interact with

http://purl.obolibrary.org/obo/CHEBI_8212

http://purl.obolibrary.org/obo/dinto_DB00556

http://purl.obolibrary.org/obo/CHEBI_9948

http://purl.obolibrary.org/obo/CHEBI_5280

http://purl.obolibrary.org/obo/CHEBI_119573

http://purl.obolibrary.org/obo/CHEBI_585948

http://purl.obolibrary.org/obo/CHEBI_337298

http://purl.obolibrary.org/obo/CHEBI_8107

http://purl.obolibrary.org/obo/CHEBI_45863

http://purl.obolibrary.org/obo/CHEBI_4315

http://purl.obolibrary.org/obo/CHEBI_474180

http://purl.obolibrary.org/obo/dinto_DB01142

http://purl.obolibrary.org/obo/CHEBI_68621

http://purl.obolibrary.org/obo/CHEBI_127780

http://purl.obolibrary.org/obo/CHEBI_37924

http://purl.obolibrary.org/obo/dinto_DB00108

http://purl.obolibrary.org/obo/dinto_DB00994

http://purl.obolibrary.org/obo/dinto_DB00243

http://purl.obolibrary.org/obo/dinto_DB00224

http://purl.obolibrary.org/obo/CHEBI_3647

http://purl.obolibrary.org/obo/CHEBI_8707

http://purl.obolibrary.org/obo/CHEBI_681569

http://purl.obolibrary.org/obo/dinto_DB00196

http://purl.obolibrary.org/obo/dinto_DB00344

http://purl.obolibrary.org/obo/CHEBI_101278

http://purl.obolibrary.org/obo/CHEBI_40050

http://purl.obolibrary.org/obo/dinto_DB00757

http://purl.obolibrary.org/obo/CHEBI_156095

http://purl.obolibrary.org/obo/dinto_DB00540

http://purl.obolibrary.org/obo/CHEBI_63611

http://purl.obolibrary.org/obo/dinto_DB06207

http://purl.obolibrary.org/obo/CHEBI_4031

http://purl.obolibrary.org/obo/CHEBI_8871

http://purl.obolibrary.org/obo/CHEBI_47499

http://purl.obolibrary.org/obo/CHEBI_31515

http://purl.obolibrary.org/obo/dinto_DB00726

http://purl.obolibrary.org/obo/CHEBI_5613

http://purl.obolibrary.org/obo/dinto_DB04855

http://purl.obolibrary.org/obo/dinto_DB00104

http://purl.obolibrary.org/obo/dinto_DB00291

http://purl.obolibrary.org/obo/CHEBI_63609

http://purl.obolibrary.org/obo/CHEBI_47780

http://purl.obolibrary.org/obo/CHEBI_63622

http://purl.obolibrary.org/obo/CHEBI_48538

http://purl.obolibrary.org/obo/CHEBI_8069

http://purl.obolibrary.org/obo/dinto_DB06287

http://purl.obolibrary.org/obo/CHEBI_49603

http://purl.obolibrary.org/obo/dinto_DB06674

http://purl.obolibrary.org/obo/CHEBI_63632

http://purl.obolibrary.org/obo/CHEBI_3699

http://purl.obolibrary.org/obo/CHEBI_7494

http://purl.obolibrary.org/obo/CHEBI_68595

http://purl.obolibrary.org/obo/CHEBI_6780

http://purl.obolibrary.org/obo/dinto_DB01601

http://purl.obolibrary.org/obo/CHEBI_45081

http://purl.obolibrary.org/obo/CHEBI_9566

http://purl.obolibrary.org/obo/CHEBI_3181

http://purl.obolibrary.org/obo/dinto_DB01323

http://purl.obolibrary.org/obo/CHEBI_51364

http://purl.obolibrary.org/obo/CHEBI_4717

http://purl.obolibrary.org/obo/CHEBI_5893

http://purl.obolibrary.org/obo/CHEBI_17698

http://purl.obolibrary.org/obo/dinto_DB01167

http://purl.obolibrary.org/obo/dinto_DB00270

http://purl.obolibrary.org/obo/CHEBI_63598

http://purl.obolibrary.org/obo/CHEBI_3764

http://purl.obolibrary.org/obo/CHEBI_63621

http://purl.obolibrary.org/obo/CHEBI_681850

http://purl.obolibrary.org/obo/dinto_DB00290

http://purl.obolibrary.org/obo/CHEBI_7565

http://purl.obolibrary.org/obo/dinto_DB04865

http://purl.obolibrary.org/obo/CHEBI_75984

http://purl.obolibrary.org/obo/CHEBI_5121

http://purl.obolibrary.org/obo/CHEBI_2682

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/dinto_DB00308

http://purl.obolibrary.org/obo/CHEBI_8764

http://purl.obolibrary.org/obo/dinto_DB01361

http://purl.obolibrary.org/obo/dinto_DB00798

http://purl.obolibrary.org/obo/CHEBI_567361

http://purl.obolibrary.org/obo/CHEBI_2790

http://purl.obolibrary.org/obo/CHEBI_10119

http://purl.obolibrary.org/obo/CHEBI_52172

http://purl.obolibrary.org/obo/CHEBI_100246

http://purl.obolibrary.org/obo/dinto_DB01110

http://purl.obolibrary.org/obo/CHEBI_30621

http://purl.obolibrary.org/obo/CHEBI_3387

http://purl.obolibrary.org/obo/CHEBI_49375

http://purl.obolibrary.org/obo/dinto_DB05773

http://purl.obolibrary.org/obo/CHEBI_9635

http://purl.obolibrary.org/obo/CHEBI_8466

http://purl.obolibrary.org/obo/CHEBI_3720

http://purl.obolibrary.org/obo/dinto_DB01388

http://purl.obolibrary.org/obo/CHEBI_3423

http://purl.obolibrary.org/obo/CHEBI_17076

http://purl.obolibrary.org/obo/dinto_DB06372

http://purl.obolibrary.org/obo/CHEBI_50841

http://purl.obolibrary.org/obo/CHEBI_3732

http://purl.obolibrary.org/obo/CHEBI_6909

http://purl.obolibrary.org/obo/dinto_DB00955

http://purl.obolibrary.org/obo/CHEBI_6807

http://purl.obolibrary.org/obo/dinto_DB00684

http://purl.obolibrary.org/obo/CHEBI_64355

http://purl.obolibrary.org/obo/CHEBI_45367

http://purl.obolibrary.org/obo/CHEBI_6888

http://purl.obolibrary.org/obo/CHEBI_9467

http://purl.obolibrary.org/obo/CHEBI_63628

http://purl.obolibrary.org/obo/CHEBI_45716

http://purl.obolibrary.org/obo/dinto_DB08870

http://purl.obolibrary.org/obo/CHEBI_28593

http://purl.obolibrary.org/obo/CHEBI_9168

http://purl.obolibrary.org/obo/CHEBI_68540

http://purl.obolibrary.org/obo/dinto_DB01118

http://purl.obolibrary.org/obo/CHEBI_107736

http://purl.obolibrary.org/obo/dinto_DB00199

http://purl.obolibrary.org/obo/dinto_DB00977

http://purl.obolibrary.org/obo/CHEBI_7772

http://purl.obolibrary.org/obo/dinto_DB00072

http://purl.obolibrary.org/obo/dinto_DB00503

http://purl.obolibrary.org/obo/dinto_DB01319

http://purl.obolibrary.org/obo/dinto_DB01369

http://purl.obolibrary.org/obo/CHEBI_2637

http://purl.obolibrary.org/obo/dinto_DB01320

http://purl.obolibrary.org/obo/CHEBI_27899

http://purl.obolibrary.org/obo/CHEBI_4657

http://purl.obolibrary.org/obo/dinto_DB01218

http://purl.obolibrary.org/obo/dinto_DB01026

http://purl.obolibrary.org/obo/CHEBI_8427

http://purl.obolibrary.org/obo/CHEBI_8428

http://purl.obolibrary.org/obo/CHEBI_367163

http://purl.obolibrary.org/obo/CHEBI_28077

http://purl.obolibrary.org/obo/CHEBI_47781

http://purl.obolibrary.org/obo/CHEBI_31355

http://purl.obolibrary.org/obo/CHEBI_195280

http://purl.obolibrary.org/obo/dinto_DB00220

http://purl.obolibrary.org/obo/dinto_DB01208

http://purl.obolibrary.org/obo/CHEBI_38940

http://purl.obolibrary.org/obo/dinto_DB00934

http://purl.obolibrary.org/obo/dinto_DB00622

http://purl.obolibrary.org/obo/dinto_DB01623

http://purl.obolibrary.org/obo/CHEBI_4681

http://purl.obolibrary.org/obo/CHEBI_2675

http://purl.obolibrary.org/obo/dinto_DB00976

http://purl.obolibrary.org/obo/CHEBI_45783

http://purl.obolibrary.org/obo/dinto_DB00951

http://purl.obolibrary.org/obo/CHEBI_2666

http://purl.obolibrary.org/obo/CHEBI_5118
prefixIRI

obo2:CHEBI_61049
prefLabel

tacrolimus (anhydrous)
SMILES

CO[C@@H]1C[C@@H](CC[C@H]1O)\\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@@H](C)C\\C(C)=C\\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC)[C@H](C[C@H]2C)OC

CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
Synonym

tacrolimus anhydrous

FK506

(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone

8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN

FK 506

tacrolimus

Prograf

C44H69NO12

(-)-FK 506

(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone

Tacrolimus
xref

Reaxys:8821611

KEGG DRUG:D08556

KEGG COMPOUND:C01375

PharmGKB:PA451578

Patent:EP184162

PubChem Substance:46506004

PDB:FK5

DrugBank:DB00864

National Drug Code Directory:0469-0607-73

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

Patent:US5665727

LIPID MAPS:LMPK04000003

ChEBI:61049

PubChem Compound:445647

Reaxys:3647477

PDBeChem:FK5

Drugs Product Database (DPD):2243144

CASRN:104987-11-3

RxList:http://www.rxlist.com/cgi/generic2/tacrolimus.htm

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

ChEMBL:100924
subClassOf

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