InChIKey	QJJXYPPXXYFBGM-LFZNUXCKSA-N
Compound Name	Tacrolimus
Canonical SMILES	C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	11
Pfam Stratification	Cross-Family
Avg pChEMBL	7.43
Source	ChEMBL;BindingDB

DrugBank ID	DB00864
Drug Name	Tacrolimus
CAS Number	104987-11-3
Groups	approved investigational
ATC Codes	D11AH01 L04AD02
Description	Tacrolimus (also FK-506 or Fujimycin) is an immunosuppressive drug whose main use is after organ transplant to reduce the activity of the patient's immune system and so the risk of organ rejection. It is also used in a topical preparation in the treatment of severe atopic dermatitis, severe refracto...

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Categories: Agents Causing Muscle Toxicity Agents causing hyperkalemia Agents for Dermatitis, Excluding Corticosteroids Antineoplastic and Immunomodulating Agents Calcineurin Inhibitor Immunosuppressant Calcineurin Inhibitors Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Drugs causing inadvertant photosensitivity Enzyme Inhibitors Hyperglycemia-Associated Agents Immunologic Factors Immunosuppressive Agents Lactones Misc. Skin and Mucous Membrane Agents Myelosuppressive Agents Narrow Therapeutic Index Drugs Nephrotoxic agents OATP1B1/SLCO1B1 Inhibitors P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Photosensitizing Agents Polyketides Potential QTc-Prolonging Agents QTc Prolonging Agents

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Cross-references: BindingDB: 50079777 ChEBI: 61049 CHEMBL269732 ChemSpider: 393220 Drugs Product Database (DPD): 167 C01375 D00107 PDB: FK5 PharmGKB: PA451578 PubChem:445643 PubChem:46506004 RxCUI: 235991 Therapeutic Targets Database: DAP000162 Wikipedia: Tacrolimus ZINC: ZINC000169289411