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
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
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