TEMSIROLIMUS

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01EG01
UNII 624KN6GM2T
EPA CompTox DTXSID2040945

Structure

InChI Key CBPNZQVSJQDFBE-FUXHJELOSA-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](OC(=O)C(C)(CO)CO)[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/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C56H87NO16
Molecular Weight 1030.3

Pharmacology

Mechanism of Action Action Reference
FK506-binding protein 1A inhibitor INHIBITOR DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.5-500 - - -

Target Conservation

Protein: FK506-binding protein 1A
Description: Peptidyl-prolyl cis-trans isomerase FKBP1A
Organism : Homo sapiens
P62942 ENSG00000088832

Related Entries

Cross References

Resources Reference
CAS NUMBER 162635-04-3
ChEBI 79699
ChEMBL CHEMBL1201182
DrugBank DB06287
DrugCentral 4161
FDA SRS 624KN6GM2T
Human Metabolome Database HMDB0015632
Guide to Pharmacology 5892
KEGG C15182
PubChem 6918289
SureChEMBL SCHEMBL18792
CONTENTS