Bioactive Compound Details

BioIDbio1453
NameSPIRUCHOSTATIN C
ChEMBL IDCHEMBL1835659
Molecular FormulaC23H37N3O7S3
Molecular Weight563.76
Molecular Weight (Monoisotopic)563.1794
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSpiruchostatin C
SmilesCC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](CC[S+](C)[O-])C(=O)N2)OC(=O)C[C@@H]1O
InchiInChI=1S/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+,36?/m0/s1
Inchi KeyDISXKJJDDVRQSD-KLMIADJASA-N
Molecular SpeciesNEUTRAL
Targets52.0
Bioactivities94.0
Np Likeness Score2.34
Records Key['2, Spir C', '4']
Records Name['Spiruchostatin C', 'spiruchostatin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure