Bioactive Compound Details

BioIDbio960
NamePULCHELLAMINE C
ChEMBL IDCHEMBL465699
Molecular FormulaC24H33NO9
Molecular Weight479.53
Molecular Weight (Monoisotopic)479.2155
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPulchellamine C
SmilesC=C1[C@@H]2[C@H]3OC(=O)[C@@H](CN4CCC[C@H]4C(=O)O)[C@@H]3[C@@H](OC(=O)C(C)(O)CO)CC(=C)[C@@H]2C[C@@H]1O
InchiInChI=1S/C24H33NO9/c1-11-7-17(33-23(31)24(3,32)10-26)19-14(9-25-6-4-5-15(25)21(28)29)22(30)34-20(19)18-12(2)16(27)8-13(11)18/h13-20,26-27,32H,1-2,4-10H2,3H3,(H,28,29)/t13-,14-,15-,16-,17-,18-,19+,20+,24?/m0/s1
Inchi KeyKWZLUCYNSJBNBE-MHBPFLHQSA-N
Molecular SpeciesZWITTERION
Targets5.0
Bioactivities5.0
Np Likeness Score2.32
Records Key['5', 'SP5']
Records Name['pulchellamine C', 'Pulchellamine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure