Bioactive Compound Details

BioIDbio1404
NameNone
ChEMBL IDCHEMBL451275
Molecular FormulaC12H13BrN4O4
Molecular Weight357.16
Molecular Weight (Monoisotopic)356.012
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(-)-Agelastatin C
SmilesCN1C(=O)N[C@@]2(O)[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@@]12O
InchiInChI=1S/C12H13BrN4O4/c1-16-10(19)15-12(21)8-6(4-11(12,16)20)17-5(9(18)14-8)2-3-7(17)13/h2-3,6,8,20-21H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,11+,12-/m1/s1
Inchi KeyFTXCKDLRLVUKQU-RMEKTUJTSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score1.87
Records Key['3', '2a']
Records Name['(-)-agelastatin C', 'Agelastatin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure