AZD3965   

GtoPdb Ligand ID: 10605

Synonyms: AZD-3965
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.
2D Structure
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Physico-chemical Properties
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
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
Classification
Compound class Synthetic organic
IUPAC Name
5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione
Synonyms
AZD-3965
Database Links
CAS Registry No. 1448671-31-5 (source: PubChem)
GtoPdb PubChem SID 404859052
PubChem CID 10369242
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