Bioactive Compound Details

BioIDbio389
NameAMBIGUINE C ISONITRILE
ChEMBL IDCHEMBL559449
Molecular FormulaC26H32N2O
Molecular Weight388.56
Molecular Weight (Monoisotopic)388.2515
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAmbiguine C Isonitrile
Smiles[C-]#[N+][C@@H]1[C@]2(O)c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C
InchiInChI=1S/C26H32N2O/c1-9-23(3,4)21-20-19-16(12-11-13-17(19)28-21)24(5,6)18-14-15-25(7,10-2)22(27-8)26(18,20)29/h9-13,18,22,28-29H,1-2,14-15H2,3-7H3/t18-,22+,25+,26-/m1/s1
Inchi KeyFDEFKOBGABILIC-XQHQYKGYSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities7.0
Np Likeness Score2.9
Records Key['ambiguine C isonitrile', '53']
Records Name['ambiguine C isonitrile', 'Ambiguine C isonitrile']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure