Bioactive Compound Details

BioIDbio1571
NameHYDROXYTHAXTOMIN C
ChEMBL IDCHEMBL2270638
Molecular FormulaC21H20N4O5
Molecular Weight408.41
Molecular Weight (Monoisotopic)408.1434
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCN1C(=O)[C@](O)(Cc2ccccc2)NC(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12
InchiInChI=1S/C21H20N4O5/c1-24-17(10-14-12-22-15-8-5-9-16(18(14)15)25(29)30)19(26)23-21(28,20(24)27)11-13-6-3-2-4-7-13/h2-9,12,17,22,28H,10-11H2,1H3,(H,23,26)/t17-,21+/m0/s1
Inchi KeyCRDXCBHAFGPWRN-LAUBAEHRSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities24.0
Np Likeness Score0.33
Records Key['6']
Records Name['hydroxythaxtomin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure