Bioactive Compound Details

BioIDbio1422
NameSECRAMINE C
ChEMBL IDCHEMBL1222040
Molecular FormulaC37H41BrN2O6S
Molecular Weight721.71
Molecular Weight (Monoisotopic)720.1869
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSecramine C
SmilesCOc1ccc(CS[C@@H]2C/C(=N/OCc3ccccc3)C[C@H]3Oc4c(Br)c(OCC5CC5)cc5c4[C@]32C[C@@H](CO)N(C(C)=O)C5)cc1
InchiInChI=1S/C37H41BrN2O6S/c1-23(42)40-18-27-14-31(44-20-25-8-9-25)35(38)36-34(27)37(17-29(40)19-41)32(46-36)15-28(39-45-21-24-6-4-3-5-7-24)16-33(37)47-22-26-10-12-30(43-2)13-11-26/h3-7,10-14,25,29,32-33,41H,8-9,15-22H2,1-2H3/b39-28+/t29-,32+,33+,37+/m0/s1
Inchi KeyDIXVWBWVRIOKEW-UUFBOTJYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities6.0
Np Likeness Score0.1
Records Key['3']
Records Name['Secramine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure