Ligand Id: 3017
Ligand name (3R)-6-({3-[bis(4-fluorophenyl)methyl]-1-(propan-2-yl)naphthalen-2-yl}oxy)-3,5-dihydroxyhexanoate

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 89.82
Molecular weight 533.21
XLogP 8.51
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands

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Similar Ligands
fluvastatin
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
rosuvastatin
GRAC targets
OATP1A2
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[2,3-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoic acid
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
cerivastatin
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
atorvastatin
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R,6E)-7-[4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3S)-4-{[(E)-2-[1-(4-fluorophenyl)-3-(propan-2-yl)-1H-indol-2-yl]ethenyl](hydroxy)phosphoryl}-3-hydroxybutanoic acid
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[1-(4-fluorophenyl)-2-phenyl-4-(propan-2-yl)-1H-imidazol-5-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,6E)-7-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[2,4-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
methyl (3R,5S,6E)-7-[3-bromo-4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[4-(4-fluorophenyl)-1,2-bis(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[1-cyclohexyl-4-(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,6E)-7-[6-tert-butyl-4-(4-fluorophenyl)-2-(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,6E)-7-[5-(4-fluorophenyl)-3-(propan-2-yl)-1-(pyrazin-2-yl)-1H-pyrazol-4-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R)-7-[3-(4-fluorophenyl)-8-oxo-7-phenyl-1-(propan-2-yl)-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R)-7-[5-(3-fluorophenyl)-1-(4-fluorophenyl)-4-oxo-3-(propan-2-yl)-3H,4H,5H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[5-(4-fluorophenyl)-2-(propan-2-yl)-4-(pyridin-3-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[2-(4-fluorophenyl)-4-(3-phenylpentan-3-yl)phenyl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R)-7-[4-(4-fluorophenyl)-5-methyl-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R)-7-(5-{[(4-cyanophenyl)methyl]carbamoyl}-3-(4-fluorophenyl)-4-phenyl-1-(propan-2-yl)-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3S)-4-{[(E)-2-[3'-(4-fluorophenyl)spiro[cyclopentane-1,1'-indene]-2'-yl]ethenyl](hydroxy)phosphoryl}-3-hydroxybutanoic acid
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R)-7-[4-(4-fluorophenyl)-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5S,6E)-7-[2-(4-fluorophenyl)-7-[(4-phenylphenyl)methyl]-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxyhept-6-enoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R)-7-(3-{[3-(carbamoylmethyl)phenyl]sulfamoyl}-4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
PD-149164
IUPHAR-DB targets
CCK2 receptor
(3R,5R)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
CAY 10471
GRAC targets
DP2 receptor
IUPHAR-DB targets
DP2 receptor
(3R,5R)-7-[1-cyclohexyl-4-(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R)-7-[4-(4-fluorophenyl)-2-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
BAY27-9955
GRAC targets
glucagon receptor
(3R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)nona-6,8-dienoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
(3R,5R)-7-[1-(4-fluorophenyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
4-[({5-[(3R,5R)-6-carboxylato-3,5-dihydroxyhexyl]-1-ethyl-4-(4-fluorophenyl)-3-methyl-1H-pyrrol-2-yl}formamido)methyl]benzoate
IUPHAR-DB targets
hydroxymethylglutaryl-CoA reductase
NFPS
GRAC targets
GlyT1
[3H]NFPS
GRAC targets
GlyT1
(R)-NFPS
GRAC targets
GlyT1
NS-220
IUPHAR-DB targets
Peroxisome proliferator-activated receptor-α