Bioactive Compound Details

BioIDbio613
NameGLIOCLADINE C
ChEMBL IDCHEMBL459275
Molecular FormulaC23H20N4O3S2
Molecular Weight464.57
Molecular Weight (Monoisotopic)464.0977
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGliocladine C
SmilesCN1C(=O)[C@]23SS[C@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H]3O
InchiInChI=1S/C23H20N4O3S2/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21+,22+,23-/m0/s1
Inchi KeyMRBZKCMQZBKXMZ-HMKLVTIHSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.95
Records Key['3']
Records Name['gliocladine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure