compound 6a [Patil et al., 1989]

Ligand id: 2963

Name: compound 6a [Patil et al., 1989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 37.3
Molecular weight 274.19
XLogP 6.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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Similar Ligands
myristic acid
Targets
FFA1 receptor; FFA4 receptor
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
octanoic acid
Targets
Fatty acid transport protein 1; Fatty acid transport protein 4; Fatty acid transport protein 6
decanoic acid
Targets
GPR84
undecanoic acid
Targets
GPR84
lauric acid
Targets
GPR84
pentanoic acid
Targets
FFA2 receptor; FFA3 receptor
butyric acid
Targets
FFA2 receptor; FFA3 receptor; Fatty acid transport protein 1; Fatty acid transport protein 4; HCA2 receptor; SMCT1; histone deacetylase 1; histone deacetylase 2; histone deacetylase 3; histone deacetylase 8
azelaic acid
eicosatetranoic acid
Targets
Peroxisome proliferator-activated receptor-α
palmitoleic acid
arachidonic acid
Targets
5-LOX; ClC-2; Kv4.2; K2P10.1; K2P2.1; K2P4.1; Kir2.3; Kir3.4; TRPC6; 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
γ-linolenic acid
Targets
Fatty acid transport protein 1; Fatty acid transport protein 4; Fatty acid transport protein 6
linoleic acid
Targets
FFA1 receptor; FFA4 receptor; Hepatocyte nuclear factor-4-α; Kv2.1; 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
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
succinic acid
Targets
Mitochondrial dicarboxylate transporter; Na+/dicarboxylate cotransporter 1; Na+/dicarboxylate cotransporter 3; succinate receptor
17-octadecynoic acid
Targets
CYP4F2
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
EPA
Targets
chemerin receptor
medica 16
Targets
FFA1 receptor
GIV3727
Targets
TAS2R31
docosahexaenoic acid
Targets
FFA1 receptor; Retinoid X receptor-α; TRPA1