Compound Detail

CHEMBL6059875

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N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(C3)C1)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6059875
Phase	Preclinical
Structure Type	MOL
InChI Key	SCBANKPTATZMOP-RGCZZKDASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

306.2

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C16H27BN2O3
MW	306.22

Activity Summary

IC50 21 meas. best 7.57

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dipeptidyl peptidase 2 CHEMBL3976	IC50	7.57	6.57	27.0	3
Prolyl endopeptidase FAP CHEMBL4683	IC50	7.51	6.51	31.0	3
Presequence protease, mitochondrial CHEMBL3124731	IC50	7.38	7.38	42.0	1
Unchecked CHEMBL612545	IC50	7.38	5.88	42.0	2
Dipeptidyl peptidase 8/9 CHEMBL3885564	IC50	5.33	5.33	4700.0	1
Dipeptidyl peptidase 9 CHEMBL4793	IC50	5.21	5.21	6100.0	1
Dipeptidyl peptidase 4 CHEMBL284	IC50	5.19	5.19	6400.0	1
Dipeptidyl peptidase 8 CHEMBL4657	IC50	5.11	5.11	7800.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dipeptidyl peptidase 2	IC50	=	27.0	nM	7.57	EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e...	-
Dipeptidyl peptidase 2	IC50	=	27.0	nM	7.57	In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste...	-
Prolyl endopeptidase FAP	IC50	=	31.0	nM	7.51	EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e...	-
Prolyl endopeptidase FAP	IC50	=	31.0	nM	7.51	In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste...	-
Unchecked	IC50	=	42.0	nM	7.38	EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e...	-
Presequence protease, mitochondrial	IC50	=	42.0	nM	7.38	In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste...	-
Dipeptidyl peptidase 8/9	IC50	=	4700.0	nM	5.33	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Dipeptidyl peptidase 9	IC50	=	6100.0	nM	5.21	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Dipeptidyl peptidase 4	IC50	=	6400.0	nM	5.19	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Dipeptidyl peptidase 8	IC50	=	7800.0	nM	5.11	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Dipeptidyl peptidase 2	IC50	=	27000.0	nM	4.57	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Prolyl endopeptidase FAP	IC50	=	31000.0	nM	4.51	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Unchecked	IC50	=	42000.0	nM	4.38	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-

Data from ChEMBL 36 via Core Engine