Bioactive Compound Details

BioIDbio1310
NameLATRUNCULIN C
ChEMBL IDCHEMBL485924
Molecular FormulaC20H31NO5S
Molecular Weight397.54
Molecular Weight (Monoisotopic)397.1923
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLatrunculin C
SmilesC/C1=C/C(=O)O[C@@H](CC(O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C\CC1
InchiInChI=1S/C20H31NO5S/c1-13-5-3-4-6-14(2)9-19(24)26-16(10-15(22)8-7-13)11-18(23)17-12-27-20(25)21-17/h3,5,9,13,15-18,22-23H,4,6-8,10-12H2,1-2H3,(H,21,25)/b5-3-,14-9-/t13-,15-,16-,17+,18?/m1/s1
Inchi KeyJDROCHDFKUSVDQ-CNUXZQNMSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score2.53
Records Key['4']
Records Name['latrunculin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure