Ligand Id: 4055
Ligand name AC55649

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 37.3
Molecular weight 310.19
XLogP 10.2
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
fingolimod
IUPHAR-DB targets
Kir3.4
ACAA
GRAC targets
TRPC3; TRPC6; TRPM2; TRPM8
IUPHAR-DB targets
TRPM2
L-644,698
GRAC targets
DP1 receptor
IUPHAR-DB targets
DP1 receptor
(+)-MCPG
IUPHAR-DB targets
mGlu1 receptor; mGlu2 receptor; mGlu3 receptor; mGlu5 receptor; mGlu7 receptor
LY367385
GRAC targets
mGlu1 receptor
IUPHAR-DB targets
mGlu1 receptor
4-AMBA
GRAC targets
Peptide transporter 1
thiazolidinone
IUPHAR-DB targets
Peroxisome proliferator-activated receptor-γ
TOFA
GRAC targets
Acetyl-CoA carboxylase 1; Acetyl-CoA carboxylase 2
LY97241
IUPHAR-DB targets
Kv10.1; Kv10.2
4-{dimethyl[5-(4-phenylphenyl)pentyl]azaniumyl}butane-1-sulfonate
IUPHAR-DB targets
squalene synthase
FTY720-phosphate
IUPHAR-DB targets
S1P1 receptor; S1P3 receptor; S1P4 receptor; S1P5 receptor
clofilium
IUPHAR-DB targets
Kv1.5; Kv10.1
probenecid
GRAC targets
OATP1C1; Sodium/phosphate cotransporter 1; TRPV2
GW9578
IUPHAR-DB targets
Peroxisome proliferator-activated receptor-α; Peroxisome proliferator-activated receptor-β/δ; Peroxisome proliferator-activated receptor-γ
5-butyl-1H-pyrazole-3-carboxylic acid
IUPHAR-DB targets
HCA2 receptor
VPC23019
(1S,2S,3S,4S)-3,4-bis({butyl[(4-phenoxyphenyl)methyl]carbamoyl})cyclobutane-1,2-dicarboxylic acid
IUPHAR-DB targets
squalene synthase
pobilukast
GRAC targets
CysLT1 receptor
IUPHAR-DB targets
CysLT1 receptor
[3H]GW2331
IUPHAR-DB targets
Peroxisome proliferator-activated receptor-γ
AC261066
GRAC targets
Retinoic acid receptor-β
GW2331
IUPHAR-DB targets
Peroxisome proliferator-activated receptor-α; Peroxisome proliferator-activated receptor-γ
AFD(R)
IUPHAR-DB targets
S1P1 receptor; S1P3 receptor; S1P4 receptor; S1P5 receptor
(1S,2S,3S,5R)-1-(carboxymethyl)-3,5-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclopentane-1,2-dicarboxylic acid
IUPHAR-DB targets
squalene synthase