Bioactive Compound Details

BioIDbio200568
NameEVEROLIMUS
ChEMBL IDCHEMBL1908360
Molecular FormulaC53H83NO14
Molecular Weight958.24
Molecular Weight (Monoisotopic)957.5814
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
Synonyms40-O-(2-HYDROXYETHYL)-RAPAMYCIN|AFINITOR|AFINITOR DISPERZ|CERTICAN|EVEROLIMUS|RAD 666|RAD-001|RAD-666|RAD001|SDZ RAD|SDZ-RAD|Votubia|ZORTRESS
SmilesCO[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](OCCO)[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
InchiInChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1
Inchi KeyHKVAMNSJSFKALM-GKUWKFKPSA-N
Molecular SpeciesNEUTRAL
Targets325.0
Bioactivities404.0
Np Likeness Score1.84
Records Key['SID144206063', 'Everolimus', 'Everolimus', 'Everolimus', 'RAD001', 'Certican', 'Everolimus', '20, FTY720', 'RAD001', 'EVEROLIMUS', 'EVEROLIMUS', '5', 'EVEROLIMUS', 'Everolimus', 'Everolimus', 'EVEROLIMUS', 'Everolimus', 'Everolimus, Everolimus (RAD001), RAD001', 'Everolimus', 'EVERO', 'EVEROLIMUS', 'RAD001', 'Everolimus', '56; RAD001', 'Everolimus', 'EVEROLIMUS', '4', 'Afinitor', 'RAD001', '37', 'Everolimus', 'Everolimus', '3; RAD-001', '13']
Records Name['SID144206063', 'Everolimus', 'Everolimus', 'Everolimus', 'Everolimus', 'Certican', 'Everolimus', 'Everolimus', 'RAD001', 'EVEROLIMUS', 'EVEROLIMUS', 'Everolimus', 'EVEROLIMUS', 'Everolimus', 'Everolimus', 'EVEROLIMUS', 'Everolimus', 'everolimus', 'Everolimus', 'Everolimus', 'EVEROLIMUS', 'Everolimus', 'Everolimus', 'Everolimus', 'Everolimus', 'EVEROLIMUS', 'Everolimus', 'Afinitor', 'Everolimus', 'Everolimus', 'Everolimus', 'Everolimus', 'Everolimus', 'Everolimus']
Withdrawn FlagFalse
Orphan1

Molecular Structure

2D Molecular Structure