Ligand Id: 3025
Ligand name (1S,3Z)-3-{2-[(1R,3aS,7aR)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-octahydro-1H-inden-4-yl]ethylidene}-4,4-dimethylcyclohexan-1-ol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 40.46
Molecular weight 418.38
XLogP 9.52
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands

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Similar Ligands
desmosterol
IUPHAR-DB targets
Farnesoid X receptor-β
cholesterol
GRAC targets
CYP11A1; RAR-related orphan receptor-α
IUPHAR-DB targets
RAR-related orphan receptor-α
24(S)-hydroxycholesterol
GRAC targets
Liver X receptor-α; Liver X receptor-β
IUPHAR-DB targets
Liver X receptor-α; Liver X receptor-β
25-hydroxycholesterol
GRAC targets
GPR183; Liver X receptor-α; Liver X receptor-β
IUPHAR-DB targets
Liver X receptor-α; Liver X receptor-β; RAR-related orphan receptor-γ
24(S), 25-epoxycholesterol
IUPHAR-DB targets
Liver X receptor-α; Liver X receptor-β
27-hydroxycholesterol
GRAC targets
GPR183; Liver X receptor-α; Liver X receptor-β
IUPHAR-DB targets
Liver X receptor-α; Liver X receptor-β
22R-hydroxycholesterol
GRAC targets
Liver X receptor-α; Liver X receptor-β
IUPHAR-DB targets
Farnesoid X receptor; Liver X receptor-α; Liver X receptor-β
7β-hydroxycholesterol
GRAC targets
GPR183
7-hydroxycholesterol
GRAC targets
RAR-related orphan receptor-α
7α-hydroxycholesterol
GRAC targets
GPR183
pregnenolone
GRAC targets
CYP11A1; CYP17A1
IUPHAR-DB targets
Glycine Receptor (All subtypes)
20S-hydroxycholesterol
GRAC targets
Liver X receptor-α; Liver X receptor-β
IUPHAR-DB targets
Liver X receptor-α; Liver X receptor-β
cholesterol sulphate
GRAC targets
RAR-related orphan receptor-α
IUPHAR-DB targets
RAR-related orphan receptor-α
17α-hydroxypregnenolone
GRAC targets
CYP17A1
7β, 27-dihydroxycholesterol
GRAC targets
GPR183
7α,27-dihydroxycholesterol
GRAC targets
GPR183
7β, 25-dihydroxycholesterol
GRAC targets
GPR183
7α,25-dihydroxycholesterol
GRAC targets
GPR183
IUPHAR-DB targets
GPR183
dehydroepiandrosterone
GRAC targets
CYP17A1
IUPHAR-DB targets
Glycine Receptor (All subtypes)
pregnenolone-16α-carbonitrile
IUPHAR-DB targets
Pregnane X receptor
chenodeoxycholic acid
GRAC targets
Farnesoid X receptor; GPBA receptor
IUPHAR-DB targets
FPR1; Farnesoid X receptor; GPBA receptor
TCDCA
GRAC targets
Sodium/bile acid cotransporter 1
IUPHAR-DB targets
Sodium/bile acid cotransporter 1
TUDA
GRAC targets
Sodium/bile acid cotransporter 1
IUPHAR-DB targets
Sodium/bile acid cotransporter 1
ECDCA
GRAC targets
Farnesoid X receptor
IUPHAR-DB targets
Farnesoid X receptor
cholic acid
GRAC targets
GPBA receptor; Sodium/bile acid cotransporter 1; Sodium/bile acid cotransporter 2
IUPHAR-DB targets
Farnesoid X receptor; GPBA receptor; Sodium/bile acid cotransporter 1; Sodium/bile acid cotransporter 2
3-keto-lithocholic acid
IUPHAR-DB targets
Pregnane X receptor; Vitamin D receptor
5β-cholestane-3α,7α,12α-triol
IUPHAR-DB targets
Pregnane X receptor
TCA
GRAC targets
OATP1C1; Sodium/bile acid cotransporter 1; Sodium/bile acid cotransporter 2
IUPHAR-DB targets
Sodium/bile acid cotransporter 1; Sodium/bile acid cotransporter 2
[3H]taurocholic acid
GRAC targets
Sodium/bile acid cotransporter 2
cholesten
IUPHAR-DB targets
Farnesoid X receptor-β