BDBM707369 2-(4-{2-[(S)-2-methyl-1- azetidinyl]-5-methyl-6- (trifluoromethyl)-4-pyrimidinyl}- 1-pyrazolyl)-1-(1-piperazinyl)-1- ethanone::US20240409530, Compound A3

SMILES Cc1c(-c2cnn(CC(=O)N3CCNCC3)c2)nc(N2CC[C@@H]2C)nc1C(F)(F)F

InChI Key InChIKey=BWJOFRSWMJNVMM-UHFFFAOYSA-N

  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 = 707369   

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

US Patent
LigandPNGBDBM707369(2-(4-{2-[(S)-2-methyl-1- azetidinyl]-5-methyl-6- (...)
Affinity DataIC50: 2.90nMAssay 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
US Patent

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

US Patent
LigandPNGBDBM707369(2-(4-{2-[(S)-2-methyl-1- azetidinyl]-5-methyl-6- (...)
Affinity DataIC50: 4.60nMAssay 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
US Patent

TargetKetohexokinase(Human)
Centennial Therapeutics

US Patent
LigandPNGBDBM707369(2-(4-{2-[(S)-2-methyl-1- azetidinyl]-5-methyl-6- (...)
Affinity DataIC50: 7.48nMAssay 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
US Patent

TargetKetohexokinase(Rat)
Centennial Therapeutics

US Patent
LigandPNGBDBM707369(2-(4-{2-[(S)-2-methyl-1- azetidinyl]-5-methyl-6- (...)
Affinity DataIC50: 8.30nMAssay 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
US Patent