Bioactive Compound Details

BioIDbio1898
NameBETAMETHASONE VALERATE
ChEMBL IDCHEMBL1497
Molecular FormulaC27H37FO6
Molecular Weight476.59
Molecular Weight (Monoisotopic)476.2574
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAUDAVATE|AUDAVATE RD|BETA-VAL|BETACAP|BETADERM|BETAMETH VAL IN COAL TAR|BETAMETHASONE (AS VALERATE)|BETAMETHASONE 17-VALERATE|BETAMETHASONE VALERATE|BETAMETHASONI VALERAS|BETATREX|BETESIL|BETNOVATE RD|BETNOVATE-C|BETNOVATE-N|BETTAMOUSSE|BEXTASOL|DERMABET|FUCIBET|LUXIQ|NSC-755912|RINDERON V|STANOVAL|TOKUDERM|VALISONE|VALNAC|XEMACORT
SmilesCCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InchiInChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
Inchi KeySNHRLVCMMWUAJD-SUYDQAKGSA-N
Molecular SpeciesNEUTRAL
Targets69.0
Bioactivities119.0
Np Likeness Score2.01
Records Key['20', '20', 'BMS-17-val', '26', '26 (betamethasone 17-valerate)', '11', 'betamethasone-17-valerate', 'Betamethasone valerate', 'SID144212605', 'BETAMETHASONE VALERATE', 'SID174007479', 'Betamethasone valerate', 'BETAMETHASONE VALERATE', 'betamethasone-valerate', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'Betamethasone 17-valerate', 'Betamethasone valerate', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', '1a', 'betamethasone valerate']
Records Name['(betamethasone 17-valerate)Pentanoic acid 9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester', 'Pentanoic acid 9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester', 'Pentanoic acid (9R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester', 'Pentanoic acid 9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester', 'Pentanoic acid 9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester', 'Pentanoic acid 9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester (Betamethasone 17-valerate)', 'betamethasone-17-valerate', 'Betamethasone valerate', 'SID144212605', 'BETAMETHASONE VALERATE', 'SID174007479', 'Betamethasone valerate', 'BETAMETHASONE VALERATE', 'betamethasone-valerate', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'Betamethasone 17-valerate', 'Betamethasone valerate', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'BETAMETHASONE VALERATE', 'Betametasone 17-valerate', 'betamethasone valerate']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure