sirolimus

Ligand id: 6031

Name: sirolimus

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 195.43
Molecular weight 913.56
XLogP 4.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1999))
International Nonproprietary Names
INN number INN
7104 sirolimus
Synonyms
AY-22989 | Rapamune® | rapamycin | WY-090217
Database Links
CAS Registry No. 53123-88-9
ChEBI CHEBI:9168
ChEMBL Ligand CHEMBL413
DrugBank Ligand DB00877
PubChem CID 5284616
RCSB PDB Ligand RAP
Search Google for chemical match using the InChIKey QFJCIRLUMZQUOT-HPLJOQBZSA-N
Search Google for chemicals with the same backbone QFJCIRLUMZQUOT
Search PubMed clinical trials sirolimus
Search PubMed titles sirolimus
Search PubMed titles/abstracts sirolimus
Search UniChem for chemical match using the InChIKey QFJCIRLUMZQUOT-HPLJOQBZSA-N
Search UniChem for chemicals with the same backbone QFJCIRLUMZQUOT
SynPHARM 80549 (in complex with FK506 binding protein 1A)
Wikipedia Sirolimus
Comments
Sirolimus is a macrolide produced by the bacteria Streptomyces hygroscopicus. It has potent immunosuppressive and antiproliferative properties.