TALABOSTAT

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Synonyms
Status
Molecule Category Free-form
UNII KZ1O2SH88Z

Structure

InChI Key FKCMADOPPWWGNZ-YUMQZZPRSA-N
Smiles CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
InChI
InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19BN2O3
Molecular Weight 214.07
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None
Assay Description Organism Bioactivity Reference
Inhibition of Dipeptidyl Peptidase IV Homo sapiens 2.0 nM
Compound was tested in vitro for inhibition of Dipeptidylpeptidase II None 15.0 nM
In vitro for inhibition of Dipeptidylpeptidase IV. None 26.0 nM
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase) Homo sapiens 125.0 nM
Binding affinity for dipeptidylpeptidase IV None 2.0 nM
Inhibition of quiescent cell proline dipeptidase (QPP) None 125.0 nM
Inhibitory concentration against dipeptidyl peptidase IV None 2.0 nM
Inhibition of human placental DPP4 Homo sapiens 0.18 nM
Inhibition of human placental DPP4 at pH 2 Homo sapiens 1.6 nM
Inhibition of human DPP4 Homo sapiens 0.1 nM
Inhibition of human DPP2 Homo sapiens 30.0 nM
Inhibition of human FAP Homo sapiens 24.0 nM
Inhibition of human DPP8 Homo sapiens 17.0 nM
Inhibition of human DPP9 Homo sapiens 2.0 nM
Inhibition of human recombinant DPP9 expressed in HEK293T cells Homo sapiens 0.76 nM
Inhibition of human recombinant DPP8 expressed in HEK293T cells Homo sapiens 1.5 nM
Inhibition of human placental DPP4 Homo sapiens 0.18 nM
Inhibition of DDP4 at pH 2 preincubated for 10 mins None 1.5 nM
Inhibition of DDP4 at pH 7.4 preincubated for 10 mins None 470.0 nM
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mins prior to substrate addition by fluorescence technique Mus musculus 66.0 nM
Inhibition of human recombinant PREP expressed in Escherichia coli assessed as pNA release from Z-Gly-Pro-p-nitroanilide pre-incubated with enzyme for 15 mins prior to substrate addition by fluorescence technique Homo sapiens 980.0 nM
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique Homo sapiens 86.0 nM
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique Homo sapiens 22.0 nM
Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay Homo sapiens 73.0 nM
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay Homo sapiens 12.0 nM
Inhibition of human DPP9 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay Homo sapiens 2.2 nM
Inhibition of human DPP8 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay Homo sapiens 5.5 nM
Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay Homo sapiens 0.9 nM
Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition Homo sapiens 980.0 nM
Inhibition of DPP2 in human seminal plasma using Lys-Ala-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition Homo sapiens 86.0 nM
Inhibition of DPP4 in human seminal plasma using Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition Homo sapiens 22.0 nM
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition Mus musculus 70.0 nM
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry Mus musculus 66.0 nM
Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry Homo sapiens 22.0 nM
Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry Homo sapiens 980.0 nM
Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry Homo sapiens 86.0 nM
Binding affinity to FAP (unknown origin) Homo sapiens 70.0 nM
Binding affinity to DPP4 (unknown origin) Homo sapiens 22.0 nM
Binding affinity to PREP (unknown origin) Homo sapiens 980.0 nM
Binding affinity to DPP2 (unknown origin) Homo sapiens 86.0 nM
Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is equal to 1 mg/10 mL. A 10 μL sample of this solution is then added to 990 μL of pH 8 buffer (0.1 M HEPES, 0.14 M NaCl), and the solution is allowed to stand at room temperature overnight.The enzyme solution is prepared by diluting 20 μL of DPIV (concentration 2.5 nM) into 40 mL of pH 8 buffer.The substrate solution is prepared by dissolving 2.0 mg of L-alanyl-L-proline-para-nitroanilide into 20 mL of pH 8 buffer.250 μL of enzyme solution is added to well #B1 to #H1, #A2 to #H2, and #A3 to #H3 of a 96 well plate, while well #A1 receives 250 μL of pH 8 buffer instead of enzyme solution. 904 of pH 8 buffer is then added to column 5 (from well #A5 to #H5). Homo sapiens 1.7 nM
Inhibition of POP (unknown origin) Homo sapiens 980.0 nM
Inhibition of FAP (unknown origin) Homo sapiens 66.0 nM
Inhibition of DPP4 (unknown origin) Homo sapiens 22.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 10.52 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.04 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.04 %
Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay Homo sapiens 224.0 nM
Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay Homo sapiens 70.0 nM
Inhibition of DPP4 (unknown origin) using AMC substrate by fluorometric assay Homo sapiens 22.0 nM
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay Homo sapiens 980.0 nM
Inhibition of DPP2 (unknown origin) using AMC substrate by fluorometric assay Homo sapiens 86.0 nM

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL67279
DrugBank DB06182
FDA SRS KZ1O2SH88Z
Guide to Pharmacology 9892
PubChem 6918572
SureChEMBL SCHEMBL393024
ZINC ZINC000169746694
CONTENTS