Bioactive Compound Details

BioIDbio1298
NameANNUMURICATIN C
ChEMBL IDCHEMBL503092
Molecular FormulaC27H38N6O7
Molecular Weight558.64
Molecular Weight (Monoisotopic)558.2802
TypeProtein
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAnnumuricatin C
SmilesCC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CO)NC1=O
InchiInChI=1S/C27H38N6O7/c1-15(2)22-26(39)31-19(14-34)24(37)29-16(3)27(40)33-11-7-10-20(33)25(38)28-13-21(35)30-18(23(36)32-22)12-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-20,22,34H,7,10-14H2,1-3H3,(H,28,38)(H,29,37)(H,30,35)(H,31,39)(H,32,36)/t16-,18-,19-,20-,22-/m0/s1
Inchi KeyNTRKFALVAIXZGY-OYJIISJGSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities9.0
Np Likeness Score1.41
Records Key['5']
Records Name['annumuricatin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure