compound 18 [PMID: 8426367]   Click here for help

GtoPdb Ligand ID: 2961

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.3
Molecular weight 456.4
XLogP 10.4
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC(CCCC(C1CCC2(C1(C)CCC1C2=CCC2C1(C)CCC(C2(C)C)O)C(=O)C)C)C
Isomeric SMILES CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C(=O)C)C)C
InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1
InChI Key DZMAIPFWPZZKSY-MBDGPJGJSA-N

For advanced searching click here to open chemical structure editor

Similar Ligands Click here for help
BIO101
Click here for ligand page
gestodene
Click here for ligand page
nomegestrol
Click here for ligand page
tibolone
Click here for ligand page
Targets
Estrogen receptor-α
vamorolone
Click here for ligand page
Targets
Glucocorticoid receptor
megestrol
Click here for ligand page
clobetasone
Click here for ligand page
mometasone
Click here for ligand page
Targets
Glucocorticoid receptor
dienogest
Click here for ligand page
etonogestrel
Click here for ligand page
rimexolone
Click here for ligand page
prednisone
Click here for ligand page
Targets
Glucocorticoid receptor
methylprednisolone
Click here for ligand page
Targets
Glucocorticoid receptor; TRPC5
medrysone
Click here for ligand page
fluorometholone
Click here for ligand page
Targets
Glucocorticoid receptor
desoximetasone
Click here for ligand page
Targets
Glucocorticoid receptor
desogestrel
Click here for ligand page
betamethasone
Click here for ligand page
Targets
Glucocorticoid receptor
beclometasone
Click here for ligand page
Targets
Glucocorticoid receptor
nandrolone
Click here for ligand page
Targets
Androgen receptor
ethylestrenol
Click here for ligand page
Targets
Androgen receptor
methyltestosterone
Click here for ligand page
Targets
Androgen receptor
cortisone
Click here for ligand page
17α-hydroxyprogesterone
Click here for ligand page
17α-hydroxypregnenolone
Click here for ligand page
11-deoxycortisol
Click here for ligand page
[3H]methyltrienolone
Click here for ligand page
Targets
Androgen receptor
[3H]mibolerone
Click here for ligand page
Targets
Androgen receptor
[3H]aldosterone
Click here for ligand page
Targets
Mineralocorticoid receptor
deoxycortisone
Click here for ligand page
Targets
Glucocorticoid receptor
[3H]dexamethasone
Click here for ligand page
Targets
Glucocorticoid receptor
RU26988
Click here for ligand page
Targets
Glucocorticoid receptor
RU28362
Click here for ligand page
Targets
Glucocorticoid receptor
levonorgestrel
Click here for ligand page
Targets
Progesterone receptor
norethisterone
Click here for ligand page
Targets
Progesterone receptor
medroxyprogesterone
Click here for ligand page
Targets
Progesterone receptor
fludrocortisone
Click here for ligand page
Targets
Mineralocorticoid receptor
aldosterone
Click here for ligand page
Targets
Glucocorticoid receptor; Mineralocorticoid receptor
triamcinolone
Click here for ligand page
Targets
Glucocorticoid receptor
corticosterone
Click here for ligand page
Targets
Glucocorticoid receptor; Mineralocorticoid receptor
cortisol
Click here for ligand page
Targets
Glucocorticoid receptor; Mineralocorticoid receptor
prednisolone
Click here for ligand page
Targets
Glucocorticoid receptor; Mineralocorticoid receptor
fluoxymesterone
Click here for ligand page
Targets
Androgen receptor
mibolerone
Click here for ligand page
Targets
Androgen receptor
testosterone
Click here for ligand page
Targets
Androgen receptor
methyltrienolone
Click here for ligand page
Targets
Androgen receptor
dexamethasone
Click here for ligand page
Targets
Glucocorticoid receptor; Mineralocorticoid receptor; Pregnane X receptor