Bioactive Compound Details

BioIDbio1732
NameMICROPEPTIN 88 C
ChEMBL IDCHEMBL554919
Molecular FormulaC57H76N8O15
Molecular Weight1113.28
Molecular Weight (Monoisotopic)1112.543
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMicropeptin 88 C
SmilesCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C)C(=O)O
InchiInChI=1S/C57H76N8O15/c1-8-13-44(68)58-41(28-35-16-20-37(66)21-17-35)50(71)60-40(56(77)78)24-26-45(69)62-48-33(6)80-57(79)47(32(5)9-2)63-52(73)43(30-34-14-11-10-12-15-34)64(7)55(76)49(31(3)4)65-46(70)27-25-39(54(65)75)59-51(72)42(61-53(48)74)29-36-18-22-38(67)23-19-36/h10-12,14-23,31-33,39-43,46-49,66-67,70H,8-9,13,24-30H2,1-7H3,(H,58,68)(H,59,72)(H,60,71)(H,61,74)(H,62,69)(H,63,73)(H,77,78)/t32-,33+,39-,40-,41-,42-,43-,46+,47-,48-,49-/m0/s1
Inchi KeyQVFJAFKXTMGGJM-TUJXHWQESA-N
Molecular SpeciesNone
Targets1.0
Bioactivities2.0
Np Likeness ScoreNone
Records Key['micropeptin 88-C']
Records Name['micropeptin 88-C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure