Ligand id: 6784

Name: tacrolimus

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 178.36
Molecular weight 803.48
XLogP 3.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Used as an anti-rejection drug following allogenic organ transplant. Reduces immune system activity. May also be applied topically to treat severe atopic dermatitis.
Tacrolimus may be administered in formulations containing the anhydrous compound (PubChem CID 6436007) or as the monohydrate (PubChem CID 5282315).
Mechanism Of Action and Pharmacodynamic Effects
Precise mechanism unknown. Appears to bind FKBP-12, thus inhibiting T-lymphocyte signal transduction and IL-2 transcription, potentially by interfering in NF-AT regulated transcription.
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