compound 9a [Patil et al., 1989]

Ligand id: 2958

Name: compound 9a [Patil et al., 1989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 49.83
Molecular weight 290.19
XLogP 5.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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Similar Ligands
eicosatetranoic acid
Targets
Peroxisome proliferator-activated receptor-α
palmitic acid
Targets
FFA1 receptor; Fatty acid transport protein 1; Fatty acid transport protein 4; Fatty acid transport protein 6; cellular retinoic acid binding protein 1; fatty acid binding protein 1; fatty acid binding protein 2; fatty acid binding protein 3; fatty acid binding protein 4; retinol binding protein 2
stearic acid
Targets
cellular retinoic acid binding protein 1; fatty acid binding protein 1; fatty acid binding protein 2; fatty acid binding protein 3; fatty acid binding protein 4; retinol binding protein 2
oleic acid
Targets
FFA1 receptor; FFA4 receptor; Fatty acid transport protein 1; Fatty acid transport protein 4; Fatty acid transport protein 6; PLD2; cellular retinoic acid binding protein 1; fatty acid binding protein 1; fatty acid binding protein 2; fatty acid binding protein 3; fatty acid binding protein 4; retinol binding protein 2
arachidonic acid
Targets
ClC-2; Kv4.2; K2P10.1; K2P13.1; K2P2.1; K2P3.1; K2P4.1; Kir2.3; Kir3.4; TRPM2; cellular retinoic acid binding protein 1; fatty acid binding protein 1; fatty acid binding protein 4; protein kinase C zeta; retinol binding protein 2... click on ligand to see complete list
17-octadecynoic acid
Targets
CYP4F2
linoleic acid
Targets
FFA1 receptor; FFA4 receptor; Hepatocyte nuclear factor-4-α; Kv2.1; K2P10.1; Peroxisome proliferator-activated receptor-γ; TRPM8; cellular retinoic acid binding protein 1; fatty acid binding protein 1; fatty acid binding protein 2; fatty acid binding protein 3; fatty acid binding protein 4; retinol binding protein 2
myristic acid
Targets
FFA1 receptor; FFA4 receptor
compound 6a [Patil et al., 1989]
Targets
hydroxymethylglutaryl-CoA reductase
γ-linolenic acid
Targets
Fatty acid transport protein 1; Fatty acid transport protein 4; Fatty acid transport protein 6
palmitoleic acid
docosahexaenoic acid
Targets
FFA1 receptor; K2P10.1; Retinoid X receptor-α; TRPA1
EPA
Targets
chemerin receptor 1
α-linolenic acid
Targets
FFA1 receptor; FFA4 receptor; cellular retinoic acid binding protein 1; fatty acid binding protein 1; fatty acid binding protein 2; fatty acid binding protein 3; fatty acid binding protein 4; retinol binding protein 2
phytanic acid
Targets
Retinoid X receptor-α
pristanic acid
Targets
Peroxisome proliferator-activated receptor-α
medica 16
Targets
FFA1 receptor
nitrooleic acid
Targets
TRPA1
palmoxiric acid