RIDAFOROLIMUS

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L01EG03
UNII 48Z35KB15K

Structure

InChI Key BUROJSBIWGDYCN-GAUTUEMISA-N
Smiles CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
InChI
InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C53H84NO14P
Molecular Weight 990.22
AlogP 7.74
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 201.5
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 69.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase mTOR inhibitor INHIBITOR PubMed

Target Conservation

Protein: Serine/threonine-protein kinase mTOR
Description: Serine/threonine-protein kinase mTOR
Organism : Homo sapiens
P42345 ENSG00000198793

Related Entries

Cross References

Resources Reference
ChEBI 79700
ChEMBL CHEMBL2103839
DrugBank DB06233
DrugCentral 4778
FDA SRS 48Z35KB15K
Guide to Pharmacology 7884
KEGG C15183
PubChem 11520894
SureChEMBL SCHEMBL7719298
ZINC ZINC000169677038
CONTENTS