Bioactive Compound Details

BioIDbio1884
NameHYDROCORTISONE BUTYRATE
ChEMBL IDCHEMBL1683
Molecular FormulaC25H36O6
Molecular Weight432.56
Molecular Weight (Monoisotopic)432.2512
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCORTISOL 17-BUTYRATE|HYDROCORTISONE 17-BUTYRATE|HYDROCORTISONE BUTYRATE|HYDROCORTISONE-17-BUTYRATE|LOCOID|LOCOID C|LOCOID CRELO|LOCOID LIPOCREAM|NSC-758433
SmilesCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InchiInChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
Inchi KeyBMCQMVFGOVHVNG-TUFAYURCSA-N
Molecular SpeciesNEUTRAL
Targets72.0
Bioactivities91.0
Np Likeness Score2.14
Records Key['13', '217', '13(hydrocortisone 17-butyrate)', '17 -butyrate', 'SID170465456', 'SID11533027', 'SID144204950', 'SID56422894', 'Hydrocortisone 17-butyrate', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'hydrocortisone-butyrate', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'Hydrocortisone 17-butyrate', 'hydrocortisone butyrate']
Records Name['Butyric acid 11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester', 'Hydrocortisone-17-butyrate', 'Butyric acid 11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester', 'Butyric acid 11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester', 'SID170465456', 'SID11533027', 'SID144204950', 'SID56422894', 'Hydrocortisone 17-butyrate', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'hydrocortisone-butyrate', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'HYDROCORTISONE BUTYRATE', 'Hydrocortisone 17-butyrate', 'hydrocortisone butyrate']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure