Bioactive Compound Details

BioIDbio1092
NameTHAXTOMIN C
ChEMBL IDCHEMBL2270641
Molecular FormulaC21H20N4O4
Molecular Weight392.42
Molecular Weight (Monoisotopic)392.1485
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12
InchiInChI=1S/C21H20N4O4/c1-24-18(11-14-12-22-15-8-5-9-17(19(14)15)25(28)29)20(26)23-16(21(24)27)10-13-6-3-2-4-7-13/h2-9,12,16,18,22H,10-11H2,1H3,(H,23,26)/t16-,18-/m0/s1
Inchi KeyIAIWBAHUWORDTI-WMZOPIPTSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities41.0
Np Likeness Score0.45
Records Key['3']
Records Name['Thaxtomin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure