LTC4

Ligand id: 3354

Name: LTC4

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 27
Topological polar surface area 241.65
Molecular weight 625.3
XLogP 1.4
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Natural/Endogenous Targets
Target
CysLT1 receptor
CysLT2 receptor
GPR17
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
Leukotriene C4 synthase
γ-Glutamyltransferase
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
OATP1B3
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
CysLT1 receptor Hs Agonist Full agonist 7.0 – 8.1 pKi - 2
pKi 7.0 – 8.1 Ki1 and Ki2 against [3H]LTD4 in human lung parenchyma [2]
GPR17 Mm Agonist Agonist 9.1 pEC50 - 10
pEC50 9.1 (EC50 7.4x10-10 M) [10]
GPR17 Hs Agonist Agonist 7.8 – 9.5 pEC50 - 4
pEC50 7.8 – 9.5 (EC50 1.48x10-8 – 3.3x10-10 M) [4]
Description: [35S]GTPγS binding to 1321N1 cell membranes expressing hGPR17.
CysLT2 receptor Hs Agonist Full agonist 7.0 – 8.6 pEC50 - 3,9,13,17-18
pEC50 8.1 – 8.6 (EC50 8.9x10-9 – 2.3x10-9 M) Ca2+ mobilisation assay in HEK-293 cells [13,17]
pEC50 7.3 (EC50 5.4x10-8 M) β-arrestin assay in C2C12 myofibroblasts [18]
pEC50 7.2 (EC50 5.7x10-8 M) Ca2+ mobilization assay in HUVEC [3]
pEC50 7.0 – 7.2 (EC50 9.4x10-8 – 5.8x10-8 M) aequorin-based Ca2+ assay in HEK-293 cells [9,18]
CysLT1 receptor Hs Agonist Full agonist 7.4 – 7.7 pEC50 - 12-14,17
pEC50 7.7 (EC50 2.1x10-8 M) pigment dispersion in X. laevis melanophores [12]
pEC50 7.4 – 7.7 (EC50 4.3x10-8 – 2x10-8 M) Ca2+ mobilisation assay in COS-7 or HEK-293 cells [13-14,17]
CysLT2 receptor Hs Agonist Full agonist 8.4 – 8.5 pIC50 - 9,13
pIC50 8.4 – 8.5 (IC50 4x10-9 – 3.3x10-9 M) against [3H]LTD4 in COS-7 or HEK-293 cells [9,13]
CysLT1 receptor Hs Agonist Full agonist 6.4 – 6.5 pIC50 - 12
pIC50 6.4 – 6.5 (IC50 3.6x10-7 – 3.46x10-7 M) against [3H]LTD4 in COS-7 cells [12]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
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Target Comment
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