BDBM707391 (2R,3R)-1-{4-[1-(1-methyl-3- azetidinyl)-4-pyrazolyl]-6- (trifluoromethyl)-2-pyrimidinyl}- 2-(trifluoromethyl)-3-azetidinol::US20240409530, Compound A25

SMILES CN1CC(n2cc(-c3cc(C(F)(F)F)nc(N4C[C@@H](O)[C@@H]4C(F)(F)F)n3)cn2)C1

InChI Key InChIKey=JMMQYTULSMEEGU-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 707391   

TargetKetohexokinase(Human)
Centennial Therapeutics

US Patent
LigandPNGBDBM707391((2R,3R)-1-{4-[1-(1-methyl-3- azetidinyl)-4-pyrazol...)
Affinity DataIC50: 5.22nMAssay Description:Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/23/2025
Entry Details
Go to US Patent

TargetIsoform A of Ketohexokinase (Peripheral)(Human)
Centennial Therapeutics

US Patent
LigandPNGBDBM707391((2R,3R)-1-{4-[1-(1-methyl-3- azetidinyl)-4-pyrazol...)
Affinity DataIC50: 2.20nMAssay Description:Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/23/2025
Entry Details
Go to US Patent

TargetKetohexokinase(Rat)
Centennial Therapeutics

US Patent
LigandPNGBDBM707391((2R,3R)-1-{4-[1-(1-methyl-3- azetidinyl)-4-pyrazol...)
Affinity DataIC50: 15nMAssay Description:Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/23/2025
Entry Details
Go to US Patent

TargetIsoform A of Ketohexokinase (Peripheral)(Rattus norvegicus (Rat))
Centennial Therapeutics

US Patent
LigandPNGBDBM707391((2R,3R)-1-{4-[1-(1-methyl-3- azetidinyl)-4-pyrazol...)
Affinity DataIC50: 5.70nMAssay Description:Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, K...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
4/23/2025
Entry Details
Go to US Patent