AZD3965   Click here for help

GtoPdb Ligand ID: 10605

Synonyms: AZD-3965
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AZD3965 is an inhibitor of the monocarboxylate (lactate) transporter MCT1 (SLC16A1) [2]. Eklevated MCT1 expression has been reported in a range of solid tumours [4] and it is functionally essential in certain lymphomas which are highly dependent on the glycolytic metabolic pathway [3]. It appears that cancer cells exploit MCT1 to efflux lactate so as to prevent intracellular acidification so as to prevent metabolic catastrophe. MCT1 inhibitors are being investigated for their potential to inhibit glycolysis and tumour growth.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 150.69
Molecular weight 515.15
XLogP 2.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1c(Cc2c(C)[nH]nc2C(F)(F)F)sc2c1c(=O)n(c(=O)n2C(C)C)C)N1OCC(C1)(C)O
Isomeric SMILES O=C(c1c(Cc2c(C)[nH]nc2C(F)(F)F)sc2c1c(=O)n(c(=O)n2C(C)C)C)N1OC[C@@](C1)(C)O
InChI InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m0/s1
InChI Key PRNXOFBDXNTIFG-FQEVSTJZSA-N
Immunopharmacology Comments
AZD3965-induced inhibition of MCT1 and the subsequent build-up of intracellular lactate, is reported to inhibit lipid biosynthesis and to increase immune cell infiltration of tumours in an in vivo model [1]. The tumours are infiltrated by dendritic and natural killer cells. The combined effects of MCT1 inhibition manifest as tumour growth inhibition.