Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00406
|
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| Drug Name |
Tacrolimus
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| Synonyms |
(-)-FK 506; 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone; 15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetrone; 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN; Advagraf; Advagraf (TN); FK 506; FK5; FK506; FR 900506; FR-900506; FR900506; Fk-506; Fujimycin; Graceptor; K506; L 679934; L-679934; LCP-Tacro; Modigraf; Prograf; Prograf (TN); Protopic; Protopic (TN); Protopy; Tacarolimus; Tacrolimus (INN); Tacrolimus (Prograf); Tacrolimus (anhydrous); Tacrolimus anhydrous; Tsukubaenolide
|
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| Drug Type |
Small molecular drug
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| Indication | Organ transplant rejection [ICD11:NE84] | Approved | [1] | |||
| Therapeutic Class |
Immunosuppressive Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C44H69NO12
|
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| Canonical SMILES |
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
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| 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
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| InChIKey |
QJJXYPPXXYFBGM-LFZNUXCKSA-N
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| CAS Number |
CAS 104987-11-3
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| Pharmaceutical Properties | Molecular Weight | 804 | Topological Polar Surface Area | 178 | ||
| Heavy Atom Count | 57 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 12 | |||
| XLogP |
2.7
|
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| PubChem CID | ||||||
| PubChem SID |
10299743
,103164549
,103939344
,104178757
,104222107
,104634734
,109693101
,118048657
,119525750
,12013904
,124757870
,124766122
,124892446
,124892447
,124892448
,14815954
,14889261
,24841759
,26703416
,26705532
,26705535
,26713140
,26715494
,26756858
,29216422
,36888289
,4572
,46506004
,47574395
,48020022
,50111459
,50111460
,53788265
,57404698
,74380484
,76558282
,7887491
,7980719
,8150098
,832905
,842004
,85788970
,91011629
,92308089
,92310166
,92711966
,96025241
,99301078
,99302128
,99436940
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| ChEBI ID |
CHEBI:93221
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Tacrolimus was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64. | |||||
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