Bioactive Compound Details

BioIDbio1886
NameFLURANDRENOLIDE
ChEMBL IDCHEMBL1201012
Molecular FormulaC24H33FO6
Molecular Weight436.52
Molecular Weight (Monoisotopic)436.2261
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms33379|CORDRAN|CORDRAN SP|FLUDROXICORTIDA|FLUDROXICORTIDE|FLUDROXYCORTIDE|FLURANDRENOLIDE|FLURANDRENOLONE|HAELAN|HAELAN-C|HAELAN-X|NSC-757869
SmilesCC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InchiInChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
Inchi KeyPOPFMWWJOGLOIF-XWCQMRHXSA-N
Molecular SpeciesNEUTRAL
Targets135.0
Bioactivities346.0
Np Likeness Score2.29
Records Key['FLURANDRENOLIDE', '23', '22', '22(flurandrenolone)', '23(flurandrenolone acetonide)', 'flurandrenolone', 'SID56424122', 'FLURANDRENOLIDE', 'SID144212928', 'SID855862', 'SID170465298', 'FLURANDRENOLIDE', 'FLURANDRENOLIDE', 'Fludroxycortide', 'fludroxycortide', 'FLURANDRENOLIDE', 'SID144204060', 'FLURANDRENOLIDE', 'FLURANDRENOLIDE', 'Flurandrenolide', 'FLURANDRENOLIDE', 'FLURANDRENOLIDE', 'COVC-3897561658', 'fludroxycortide', 'BA1000781']
Records Name['FLURANDRENOLIDE', '12-Fluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one', '12-Fluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one', '12-Fluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one', '12-Fluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one', 'flurandrenolone', 'SID56424122', 'Flurandrenolide', 'SID144212928', 'SID855862', 'SID170465298', 'FLURANDRENOLIDE', 'FLURANDRENOLIDE', 'Fludroxycortide', 'fludroxycortide', 'FLURANDRENOLIDE', 'SID144204060', 'FLURANDRENOLIDE', 'FLURANDRENOLIDE', 'Flurandrenolide', 'FLURANDRENOLIDE', 'FLURANDRENOLIDE', 'FLUDROXYCORTIDE', 'fludroxycortide', 'FLURANDRENOLIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure