Bioactive Compound Details

BioIDbio508
NameNone
ChEMBL IDCHEMBL520659
Molecular FormulaC13H16BrN3O4
Molecular Weight358.19
Molecular Weight (Monoisotopic)357.0324
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsN-Methylmanzacidin C
SmilesC[N+]1=CN[C@H](C(=O)[O-])C[C@@]1(C)COC(=O)c1cc(Br)c[nH]1
InchiInChI=1S/C13H16BrN3O4/c1-13(4-10(11(18)19)16-7-17(13)2)6-21-12(20)9-3-8(14)5-15-9/h3,5,7,10H,4,6H2,1-2H3,(H2,15,18,19,20)/t10-,13-/m0/s1
Inchi KeyJLVBXJHKBZBAHE-GWCFXTLKSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score0.98
Records Key['4']
Records Name['N-methylmanzacidin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure