Showing entry for Hydroxyprogesterone Caproate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0040949
Compound NameHydroxyprogesterone Caproate
Structure
FormulaC27H40O4
InchiKeyDOMWKUIIPQCAJU-LJHIYBGHSA-N
SMILESCCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)C
InchiInChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1
IUPAC[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate
Molecular Weight428.29
Pubchem Id169870
Chembl IdCHEMBL1200848
Targets of Information Source
DrugBank DB06789
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR approved; investigational agonist
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 70293
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT012297 Protein RecA reviewed recA - - - >380000
reviewed BXGT012297 Protein RecA reviewed recA - - - 4880
CHEMBL CHEMBL1200848
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 2023 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 31622 nM
O95342 BXGT005373 Bile salt export pump reviewed Transporter ABCB11 Inhibition - - -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 55 %
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 7307 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 11220 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 11220 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 8912 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 298 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 19952 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 3981 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 17782 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 89125 nM
P06186 BXGT006419 Progesterone receptor reviewed - PGR log(RBA) '=' 1 -
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 19952 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 10000 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 10000 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 19952 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 18356 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 50118 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 20596 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 79432 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 4880 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 11930 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 5309 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 12589 nM
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR log(RBA) '=' 1 -
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 40 %
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 25118 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03910 Polyalthia nemoralis Polyalthia nemoralis Medicinal Plant
BXGF04209 Chaenomeles sinensis Chaenomeles sinensis Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease