Bioactive Compound Details

BioIDbio1763
NameAPRAMIDE C
ChEMBL IDCHEMBL448830
Molecular FormulaC52H82N8O8S
Molecular Weight979.34
Molecular Weight (Monoisotopic)978.5976
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsApramide C
SmilesC=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C
InchiInChI=1S/C52H82N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h17,24-28,30,33-37,40-41,43-45H,1,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1
Inchi KeyJKGGQCDMVBBAKM-RBFNLMEMSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score0.0
Records Key['3']
Records Name['Apramide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure