Bioactive Compound Details

BioIDbio262
NameLYNGBYATOXIN C
ChEMBL IDCHEMBL517150
Molecular FormulaC27H39N3O3
Molecular Weight453.63
Molecular Weight (Monoisotopic)453.2991
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLyngbyatoxin C
SmilesC=C[C@@](C)(C/C=C/C(C)(C)O)c1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
InchiInChI=1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1
Inchi KeyVMLLPMJDAXPWAA-PIKNDIPASA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.24
Records Key['6']
Records Name['Lyngbyatoxin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure