Bioactive Compound Details

BioIDbio270
NameDISCORHABDIN
ChEMBL IDCHEMBL17290
Molecular FormulaC19H15Br2N3O2
Molecular Weight477.16
Molecular Weight (Monoisotopic)474.9531
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDiscorhabdin P|Discorhabdine C
SmilesCn1cc2c3c1C(=O)C1=C(C3=NCC2)C2(C=C(Br)C(=O)C(Br)=C2)CCN1
InchiInChI=1S/C19H15Br2N3O2/c1-24-8-9-2-4-22-14-12(9)16(24)18(26)15-13(14)19(3-5-23-15)6-10(20)17(25)11(21)7-19/h6-8,23H,2-5H2,1H3
Inchi KeyRZOQYNKZXIRKBG-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities13.0
Np Likeness Score2.01
Records Key['discorhabdin', '1', '4', 'Discorhabdine C']
Records Name[3,5-dibromo-5'-methylspiro[2,5-cyclohexadiene-1,10'-(2',3',5',6',7',8',9',10'-octahydropyrido[2,3-h]pyrrolo[4,3,2-de]quinoline)]-4,6'-dione (Discorhabdin P)", 'Discorhabdin P', 'discorhabdin P', 'Discorhabdine C']"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure