Compound Detail

CHEMBL387444

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(NCC(=O)N1CCC[C@H]1B(O)O)C1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL387444
Phase	Preclinical
Structure Type	MOL
InChI Key	BDSCRXMWRYZJKF-NSHDSACASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

282.1

MW (Da)

First in Class Prodrug

Molecular Formula	C13H23BN2O4
MW	282.15

Ki 6 meas. best 8.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prolyl endopeptidase CHEMBL3202	Ki	8.57	8.57	2.7	1
Unchecked CHEMBL612545	Ki	8.57	8.57	2.7	1
Prolyl endopeptidase FAP CHEMBL4683	Ki	7.85	7.85	14.0	2
Dipeptidyl peptidase 4 CHEMBL284	Ki	5.13	5.085	7391.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prolyl endopeptidase	Ki	=	2.7	nM	8.57	Inhibitory constant against POP	17174090
Unchecked	Ki	=	2.7	nM	8.57	Inhibition of POP (unknown origin)	35797897
Prolyl endopeptidase FAP	Ki	=	14.0	nM	7.85	Inhibitory constant against FAP	17174090
Prolyl endopeptidase FAP	Ki	=	14.0	nM	7.85	Inhibition of FAP (unknown origin)	35797897
Dipeptidyl peptidase 4	Ki	=	7391.0	nM	5.13	Inhibition constant against DPP-4	17174090
Dipeptidyl peptidase 4	Ki	=	9080.0	nM	5.04	Inhibition of DPP4 (unknown origin)	35797897

PubMed	DOI	Target Context	# Activities
17174090	10.1016/j.bmcl.2006.11.072	Dipeptidyl peptidase 4	1
17174090	10.1016/j.bmcl.2006.11.072	Prolyl endopeptidase	1
17174090	10.1016/j.bmcl.2006.11.072	Prolyl endopeptidase FAP	1
35797897	10.1016/j.ejmech.2022.114543	Unchecked	1
35797897	10.1016/j.ejmech.2022.114543	Prolyl endopeptidase FAP	1
35797897	10.1016/j.ejmech.2022.114543	Dipeptidyl peptidase 4	1

Data from ChEMBL 36 via Core Engine