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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_61049
http://purl.obolibrary.org/obo/CHEBI_61049
|
|---|---|
| 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
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|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | tacrolimus (anhydrous)
|
|---|---|
| label | tacrolimus (anhydrous)
|
| DBSynonym |
k506
fk5
fk-506
|
| ATCCode |
L04AD02
D11AH01
|
| 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.
|
| altId |
CHEBI:42555
CHEBI:4958
|
| DBSalt | tacrolimus hydrate
|
| has pharmacological target | |
| induces | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=QJJXYPPXXYFBGM-LFZNUXCKSA-N
|
| is metabolised by | |
| AHFScode |
84:92.00
92:00.00
|
| 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
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|
| 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
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| CASRN | 104987-11-3
|
| prefixIRI | obo2:CHEBI_61049
|
| is transported by | |
| is substrate of | |
| 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
|
| may interact with |
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| DBname | tacrolimus
|
| 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
|
| DBBrand |
hecoria
advagraf
prograf
protopic
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |