Compound Detail

CHEMBL5981431

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CC1([C@H](N)C(=O)N2CCC[C@H]2B(O)O)CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5981431
Phase	Preclinical
Structure Type	MOL
InChI Key	SEAKPEIATATKKD-WDEREUQCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

268.2

MW (Da)

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Molecular Formula	C13H25BN2O3
MW	268.17

IC50 21 meas. best 7.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Presequence protease, mitochondrial CHEMBL3124731	IC50	7.47	7.47	34.0	1
Unchecked CHEMBL612545	IC50	7.47	5.97	34.0	2
Dipeptidyl peptidase 2 CHEMBL3976	IC50	7.27	6.27	54.0	3
Dipeptidyl peptidase 9 CHEMBL4793	IC50	5.57	5.57	2700.0	1
Dipeptidyl peptidase 4 CHEMBL284	IC50	5.55	5.55	2800.0	1
Dipeptidyl peptidase 8 CHEMBL4657	IC50	5.27	5.27	5400.0	1
Dipeptidyl peptidase 8/9 CHEMBL3885564	IC50	5.24	5.24	5800.0	1
Prolyl endopeptidase FAP CHEMBL4683	IC50	4.12	4.12	76000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	34.0	nM	7.47	EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e...	-
Presequence protease, mitochondrial	IC50	=	34.0	nM	7.47	In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste...	-
Dipeptidyl peptidase 2	IC50	=	54.0	nM	7.27	EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e...	-
Dipeptidyl peptidase 2	IC50	=	54.0	nM	7.27	In Vitro Inhibition Assay: Materials: Enzymes Recombinant human DPPIV (R&D Syste...	-
Dipeptidyl peptidase 9	IC50	=	2700.0	nM	5.57	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Dipeptidyl peptidase 4	IC50	=	2800.0	nM	5.55	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Dipeptidyl peptidase 8	IC50	=	5400.0	nM	5.27	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Dipeptidyl peptidase 8/9	IC50	=	5800.0	nM	5.24	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Unchecked	IC50	=	34000.0	nM	4.47	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Dipeptidyl peptidase 2	IC50	=	54000.0	nM	4.27	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-
Prolyl endopeptidase FAP	IC50	=	76000.0	nM	4.12	In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No....	-

Data from ChEMBL 36 via Core Engine