Compound Detail

CHEMBL371420

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CC(C)N(C#N)NC(=O)O[C@@H](C)CC1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL371420
Phase	Preclinical
Structure Type	MOL
InChI Key	YCYQOGPWUSMXGX-LBPRGKRZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

267.4

MW (Da)

3.18

ALogP

HBA

HBD

65.4

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 10.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cathepsin K CHEMBL268	Ki	10.72	10.72	0.0	1
Pro-cathepsin H CHEMBL2225	Ki	9.34	9.34	0.5	1
Procathepsin L CHEMBL3837	Ki	9.1	9.1	0.8	1
Cathepsin B CHEMBL4072	Ki	8.89	8.89	1.3	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cathepsin K	Ki	=	0.019	nM	10.72	Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Ph...	15896958
Pro-cathepsin H	Ki	=	0.46	nM	9.34	Inhibition constant against human cathepsin H using L-Arg-b-naphthalamide	15896958
Procathepsin L	Ki	=	0.79	nM	9.1	Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC	15896958
Cathepsin B	Ki	=	1.3	nM	8.89	Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Ph...	15896958

PubMed	DOI	Target Context	# Activities
15896958	10.1016/j.bmcl.2005.04.032	Cathepsin K	1
15896958	10.1016/j.bmcl.2005.04.032	Cathepsin B	1
15896958	10.1016/j.bmcl.2005.04.032	Pro-cathepsin H	1
15896958	10.1016/j.bmcl.2005.04.032	Procathepsin L	1

Data from ChEMBL 36 via Core Engine