tacrolimus

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

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1994), EMA (2002))
International Nonproprietary Names
INN number INN
6878 tacrolimus
Synonyms
FK506 | fujimycin | Prograf® | Protopic®
Database Links
CAS Registry No. 104987-11-3
ChEMBL Ligand CHEMBL269732
DrugBank Ligand DB00864
GtoPdb PubChem SID 178103390
PubChem CID 445643
RCSB PDB Ligand FK5
Search Google for chemical match using the InChIKey QJJXYPPXXYFBGM-LFZNUXCKSA-N
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Search PubMed clinical trials tacrolimus
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Search UniChem for chemical match using the InChIKey QJJXYPPXXYFBGM-LFZNUXCKSA-N
Search UniChem for chemicals with the same backbone QJJXYPPXXYFBGM
SynPHARM 78882 (in complex with FK506 binding protein 1A)
Wikipedia Tacrolimus
Comments
Tacrolimus acts as a calcineurin inhibitor and has immunosuppressive effects.