Bioactive Compound Details

BioIDbio474
NameAPLIDIC ACID C
ChEMBL IDCHEMBL1079214
Molecular FormulaC28H35NO3
Molecular Weight433.59
Molecular Weight (Monoisotopic)433.2617
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAplidic Acid C
SmilesO=C(O)CCC/C=C/[C@@H]1C=C[C@@H]2CCC[C@H]2[C@H]1/C=C/C=C/C(=O)NCCc1ccccc1
InchiInChI=1S/C28H35NO3/c30-27(29-21-20-22-10-3-1-4-11-22)16-8-7-14-25-23(12-5-2-6-17-28(31)32)18-19-24-13-9-15-26(24)25/h1,3-5,7-8,10-12,14,16,18-19,23-26H,2,6,9,13,15,17,20-21H2,(H,29,30)(H,31,32)/b12-5+,14-7+,16-8+/t23-,24+,25+,26-/m1/s1
Inchi KeyFAGHADWDEDDYSS-ZFTNNBPWSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities5.0
Np Likeness Score1.23
Records Key['4']
Records Name['Aplidic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure