Bioactive Compound Details

BioIDbio28
NameIVERMECTIN
ChEMBL IDCHEMBL1200633
Molecular FormulaC95H146O28
Molecular Weight1736.18
Molecular Weight (Monoisotopic)1735.0001
TypeUnknown
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms22,23-DIHYDRO C-076B1|22,23-DIHYDROABAMECTIN|22,23-DIHYDROAVERMECTIN B1|22,23-DIHYDROAVERMECTIN B1A|ACAREXX|BIMECTIN|BOVINET|CARDOMEC|CARDOTEK 30|CD-5024|CD5024|CEVAMEC|Cardomec|DIHYDROAVERMECTIN B1A|EQUIMEC|EQVALAN|Eqvalan|HEARTGARD|HYVERMECTIN|Heartguard|IVECTIN|IVERMECTIN|IVERMECTIN B1A|IVERMECTIN COMPONENT B1A|IVERMECTINA|IVERMECTINE|IVERTIN|IVOMEC|IVOSINT|Ivomec|JETAMEC|L 640471|L-640471|MECTIZAN|MK 933|MK-933|Mectizan|NORAMECTIN|NOROMECTIN|NSC-755843|ORAMEC|PANDEX|PHOENECTIN|SKLICE|SOOLANTRA|STROMECTOL|UVEMEC|VERMIC|VETMEC|ZIMECTERIN
SmilesCC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
InchiInChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1
Inchi KeySPBDXSGPUHCETR-JFUDTMANSA-N
Molecular SpeciesNone
Targets187.0
Bioactivities964.0
Np Likeness ScoreNone
Records Key['1b(Ivermectin)', 'SID144205587', 'ivermectin', 'ivermectin', 'Ivermectin', 'Ivermectin', 'IVERMECTIN', 'Ivermectin', 'Ivermectin', 'Ivermectin', '19b', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'ivermectin', 'Ivermectin', 'ivermectin', '1, IVM', 'page 458,C1R8,ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', '93', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'NCGC00094047-01', 'Ivermectin', 'Ivermectin', 'IVERMECTIN', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'IVERMECTIN', 'IVM', 'Ivermectin', 'Ivermectin', 'Ivermectin', '1', '11', 'ivermectin', 'Ivermectin', 'IVERMECTIN', 'Ivermectin', 'IVERMECTIN', 'IVERMECTINE', 'Ivermectin B1a', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'IVERMECTIN', 'IVERMECTIN', '56', 'IVERMECTIN', 'Ivermectin', '31', 'IVERMECTIN', 'IVERMECTIN', 'Ivermectin', 'Ivermectin', '39', 'Ivermectin', '73', 'Ivermectin', 'Ivermectin', '2a; Fig 11, Cpd 2, MK933', 'Ivermectin', 'IVM']
Records Name['Gem-difluoro-avermectin derivative', 'SID144205587', 'ivermectin', 'ivermectin', '1-Deoxy-nodulisporic Acid derivative', 'Ivermectin', 'IVERMECTIN', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'ivermectin', 'Ivermectin', 'ivermectin', 'Ivermectin', 'ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'IVERMECTIN', 'Ivermectin (IVM)', 'Ivermectin', 'Ivermectin', 'Ivermectin', 4''-deoxy-4''-Aminoavermectin derivative", 'Ivermectin', 'ivermectin', 'Ivermectin', 'IVERMECTIN', 'Ivermectin', 'IVERMECTIN', 'IVERMECTINE', 'Ivermectin B1a', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'IVERMECTIN', 'IVERMECTIN', 'Ivermectin', 'IVERMECTIN', 'Ivermectin', 'Ivermectin', 'IVERMECTIN', 'IVERMECTIN', 'Ivermectin', 'Ivermectin', 'Ivermectin', 'Ivermectin', None, 'Ivermectin', 'Ivermectin', '22,23-dihydroavermectin B1', 'Ivermectin', 'Ivermectin']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure