Bioactive Compound Details

BioIDbio1234
NameMALYNGAMIDE C
ChEMBL IDCHEMBL1086396
Molecular FormulaC24H38ClNO5
Molecular Weight456.02
Molecular Weight (Monoisotopic)455.2439
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMalyngamide C
SmilesCCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)[C@]12O[C@H]1[C@@H](O)CCC2=O)OC
InchiInChI=1S/C24H38ClNO5/c1-3-4-5-6-8-11-19(30-2)12-9-7-10-13-22(29)26-17-18(16-25)24-21(28)15-14-20(27)23(24)31-24/h7,9,16,19-20,23,27H,3-6,8,10-15,17H2,1-2H3,(H,26,29)/b9-7+,18-16-/t19-,20-,23-,24+/m0/s1
Inchi KeyWXDBUBIFYCCNLE-NSCMQRKRSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.15
Records Key['Malyngamide C']
Records Name['Malyngamide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure