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Compound Detail

CHEMBL67279

TALABOSTAT
🧪 Phase III
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🧪 Phase III
CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL67279
Name TALABOSTAT
Phase Phase III
Structure Type MOL
InChI Key FKCMADOPPWWGNZ-YUMQZZPRSA-N

Known Names

PT-100 Talabostat Valinyl-l-boroproline
10
Targets
85
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
8
Indications

Molecular Properties

214.1
MW (Da)

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -stat
USAN Year 2005

Extended Properties

Molecular Formula C9H19BN2O3
MW 214.07

Indications

Carcinoma, Non-Small-Cell Lung Lung Neoplasms Lung Neoplasms Kidney Neoplasms Melanoma Neoplasms Skin Neoplasms Pancreatic Neoplasms

Activity Summary

IC50 72 meas. best 10.0
Ki 13 meas. best 9.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 10.0 7.7041 0.1 17
Dipeptidyl peptidase 4
CHEMBL284
 Ki 9.74 9.324 0.2 5
Dipeptidyl peptidase 9
CHEMBL4793
 Ki 9.12 9.12 0.8 1
Dipeptidyl peptidase 8
CHEMBL4657
 Ki 8.82 8.82 1.5 1
Dipeptidyl peptidase 9
CHEMBL4793
 IC50 8.7 7.075 2.0 4
Unchecked
CHEMBL612545
 IC50 8.7 6.378 2.0 5
Prolyl endopeptidase FAP
CHEMBL4683
 Ki 8.3 7.74 5.0 2
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 8.26 7.1567 5.5 3
Prolyl endopeptidase FAP
CHEMBL4683
 IC50 7.92 6.5533 12.0 9
Dipeptidyl peptidase 2
CHEMBL3976
 IC50 7.82 6.9725 15.0 8
Prolyl endopeptidase FAP
CHEMBL5769
 IC50 7.18 7.1733 66.0 3
Prolyl endopeptidase
CHEMBL3202
 IC50 7.14 5.8822 73.0 9
Dipeptidyl peptidase 2
CHEMBL3976
 Ki 6.9 6.9 125.0 2
Presequence protease, mitochondrial
CHEMBL3124731
 IC50 5.26 5.26 5500.0 2
Dipeptidyl peptidase 8/9
CHEMBL3885564
 IC50 4.1 4.1 80000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 0.1 nM 10.0 Inhibition of human DPP4 17055271
Dipeptidyl peptidase 4 Ki = 0.18 nM 9.74 Inhibition of human placental DPP4 17458948
Dipeptidyl peptidase 4 Ki = 0.18 nM 9.74 Inhibition of human placental DPP4 18783201
Dipeptidyl peptidase 4 Ki = 0.18 nM 9.74 Binding affinity to DPP-4 (unknown origin) assessed as inhibition constant 35453036
Dipeptidyl peptidase 9 Ki = 0.76 nM 9.12 Inhibition of human recombinant DPP9 expressed in HEK293T cells 18783201
Dipeptidyl peptidase 4 IC50 = 0.9 nM 9.05 Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Dipeptidyl peptidase 8 Ki = 1.5 nM 8.82 Inhibition of human recombinant DPP8 expressed in HEK293T cells 18783201
Dipeptidyl peptidase 4 IC50 = 1.5 nM 8.82 Inhibition of DDP4 at pH 2 preincubated for 10 mins 21388136
Dipeptidyl peptidase 4 IC50 = 1.6 nM 8.8 Inhibition of human placental DPP4 at pH 2 17458948
Dipeptidyl peptidase 4 IC50 = 1.7 nM 8.77 Inhibition Assay: The inhibitor solution is prepared by dissolving 3-5 mg of inh... -
Dipeptidyl peptidase 4 Ki = 2.0 nM 8.7 Binding affinity for dipeptidylpeptidase IV 15293982
Dipeptidyl peptidase 4 Ki = 2.0 nM 8.7 Inhibition of Dipeptidyl Peptidase IV 12270155
Unchecked IC50 = 2.0 nM 8.7 Inhibitory concentration against dipeptidyl peptidase IV 15482928
Dipeptidyl peptidase 9 IC50 = 2.0 nM 8.7 Inhibition of human DPP9 17055271
Dipeptidyl peptidase 9 IC50 = 2.2 nM 8.66 Inhibition of human DPP9 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Prolyl endopeptidase FAP Ki = 5.0 nM 8.3 Binding affinity to FAP (unknown origin) assessed as inhibition constant 35453036
Dipeptidyl peptidase 8 IC50 = 5.5 nM 8.26 Inhibition of human DPP8 using H-Gly-Pro-AMC as substrate preincubated for 10 mi... 23594271
Prolyl endopeptidase FAP IC50 = 12.0 nM 7.92 Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 min... 23594271
Dipeptidyl peptidase 2 IC50 = 15.0 nM 7.82 Compound was tested in vitro for inhibition of Dipeptidylpeptidase II 8642568
Dipeptidyl peptidase 8 IC50 = 17.0 nM 7.77 Inhibition of human DPP8 17055271

Literature References

PubMed DOI Target Context # Activities
18783201 10.1021/jm800390n Dipeptidyl peptidase 9 9
17458948 10.1021/jm061321+ Dipeptidyl peptidase 4 4
18783201 10.1021/jm800390n Rattus norvegicus 3
17055271 10.1016/j.bmcl.2006.10.012 Dipeptidyl peptidase 2 3
36724486 10.1021/acs.jmedchem.2c01535 THP-1 2
18783201 10.1021/jm800390n Dipeptidyl peptidase 4 2
17055271 10.1016/j.bmcl.2006.10.012 PBMC 2
18783201 10.1021/jm800390n Unchecked 2
18783201 10.1021/jm800390n Mus musculus 2
21388136 10.1021/jm100972f Dipeptidyl peptidase 4 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
36724486 10.1021/acs.jmedchem.2c01535 RAW264.7 2
24617858 10.1021/jm500031w Unchecked 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
14584950 10.1021/jm0308803 Dipeptidyl peptidase 4 2
36724486 10.1021/acs.jmedchem.2c01535 BMDM 2
21388136 10.1021/jm100972f Mus musculus 2
35797897 10.1016/j.ejmech.2022.114543 Unchecked 2
36724486 10.1021/acs.jmedchem.2c01535 HEK-293T 2
8642568 10.1021/jm950732f Prolyl endopeptidase 1

Data from ChEMBL 36 via Core Engine