BDBM707399 2-(4-{2-[(R)-2-(difluoromethyl)-1- azetidinyl]-6-(trifluoromethyl)-4- pyrimidinyl}-1-pyrazolyl)-1-(1- piperazinyl)-1-ethanone::US20240409530, Compound A33

SMILES O=C(Cn1cc(-c2cc(C(F)(F)F)nc(N3CC[C@@H]3C(F)F)n2)cn1)N1CCNCC1

InChI Key InChIKey=AQENXNVWLLHHFD-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 = 707399   

TargetKetohexokinase(Human)
Centennial Therapeutics

US Patent
LigandPNGBDBM707399(2-(4-{2-[(R)-2-(difluoromethyl)-1- azetidinyl]-6-(...)
Affinity DataIC50: 90.9nMAssay 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
LigandPNGBDBM707399(2-(4-{2-[(R)-2-(difluoromethyl)-1- azetidinyl]-6-(...)
Affinity DataIC50: 65nMAssay 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
LigandPNGBDBM707399(2-(4-{2-[(R)-2-(difluoromethyl)-1- azetidinyl]-6-(...)
Affinity DataIC50: 86nMAssay 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
LigandPNGBDBM707399(2-(4-{2-[(R)-2-(difluoromethyl)-1- azetidinyl]-6-(...)
Affinity DataIC50: 23nMAssay 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