Compound Detail

CHEMBL2333024

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CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2333024
Phase	Preclinical
Structure Type	MOL
InChI Key	QWMROLCIGVLHNY-STQMWFEESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

319.2

MW (Da)

First in Class Prodrug

Molecular Formula	C15H22BN3O4
MW	319.17

IC50 2 meas. best 8.89

Ki 1 meas. best 9.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prolyl endopeptidase CHEMBL3202	Ki	9.14	9.14	0.7	1
Prolyl endopeptidase CHEMBL3202	IC50	8.89	8.89	1.3	1
Unchecked CHEMBL612545	IC50	8.89	8.89	1.3	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prolyl endopeptidase	Ki	=	0.73	nM	9.14	Competitive inhibition of human PREP using Suc-GP-AMC as substrate by Lineweaver...	23594271
Prolyl endopeptidase	IC50	=	1.3	nM	8.89	Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mi...	23594271
Unchecked	IC50	=	1.3	nM	8.89	Inhibition of POP (unknown origin)	35797897

PubMed	DOI	Target Context	# Activities
23594271	10.1021/jm400351a	Prolyl endopeptidase	4
23594271	10.1021/jm400351a	Prolyl endopeptidase FAP	1
23594271	10.1021/jm400351a	Dipeptidyl peptidase 9	1
23594271	10.1021/jm400351a	Dipeptidyl peptidase 8	1
23594271	10.1021/jm400351a	Dipeptidyl peptidase 4	1
23594271	10.1021/jm400351a	Unchecked	1
35797897	10.1016/j.ejmech.2022.114543	Unchecked	1
35797897	10.1016/j.ejmech.2022.114543	Prolyl endopeptidase FAP	1

Data from ChEMBL 36 via Core Engine