Bioactive Compound Details

BioIDbio322
NamePTEROCELLIN C
ChEMBL IDCHEMBL402176
Molecular FormulaC22H26N2O4
Molecular Weight382.46
Molecular Weight (Monoisotopic)382.1893
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPterocellin C
SmilesCOc1cn2c(c(CCCCC(C)=O)c1=O)C(=O)c1ccnc(CC(C)C)c1-2
InchiInChI=1S/C22H26N2O4/c1-13(2)11-17-19-16(9-10-23-17)22(27)20-15(8-6-5-7-14(3)25)21(26)18(28-4)12-24(19)20/h9-10,12-13H,5-8,11H2,1-4H3
Inchi KeyAMAJESHGZRCEHZ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets10.0
Bioactivities10.0
Np Likeness Score0.88
Records Key['1, pterocellin C']
Records Name['pterocellin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure