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iGMDRD169

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

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

InChI Key: QJJXYPPXXYFBGM-LFZNUXCKSA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Tacrolimus	CHEMBL269732	445643	D08556	DB00864	Alone	DAP000162	Small Molecule

Drug Class:

Agents for Dermatitis, Excluding Corticosteroids Anti-Bacterial Agents Antineoplastic and Immunomodulating Agents Calcineurin Inhibitor Immunosuppressant Calcineurin Inhibitors CYP3A Substrates (Sensitive)Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inhibitors Dermatologicals Enzyme Inhibitors Hyperglycemia-Associated Agents Immunologic Factors Immunosuppressive Agents Lactones Macrocyclic Compounds Macrolides Misc. Skin and Mucous Membrane Agents Myelosuppressive Agents P-glycoprotein/ABCB1 Inducers P-glycoprotein/ABCB1 Inhibitors P-glycoprotein/ABCB1 Substrates Polycyclic Compounds Polyketides

Drug Targets:

FKBP1A (P62942)PPP3CA PPP3CB PPP3CC PPP3R1 PPP3R2

Drug Pathways:

MAPK signaling pathway Cellular senescence Osteoclast differentiation Natural killer cell mediated cytotoxicity Th1 and Th2 cell differentiation Th17 cell differentiation T cell receptor signaling pathway Type I polyketide structures

Drug Synonyms:

Tacrolimus (INN)Prograf (TN)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.

Gene in drug-gene network: Network Plot

Models in Tacrolimus

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