Compound Detail

CHEMBL593715

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C[C@H]1NC[C@H](O)[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL593715
Phase	Preclinical
Structure Type	MOL
InChI Key	VYOCYWDJTQRZLC-VANKVMQKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

147.2

MW (Da)

-1.94

ALogP

HBA

HBD

72.7

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

Ki 3 meas. best 6.0

IC50 2 meas. best 5.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tissue alpha-L-fucosidase CHEMBL3545	Ki	6.0	6.0	1000.0	1
Unchecked CHEMBL612545	Ki	6.0	5.69	1000.0	2
Unchecked CHEMBL612545	IC50	5.3	5.15	5000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	1000.0	nM	6.0	Inhibition of Penicillium decumbens Alpha-L-rhamnosidase by para-nitrophenolate ...	19875298
Tissue alpha-L-fucosidase	Ki	=	1000.0	nM	6.0	Inhibition of bovine kidney alpha-L-fucosidase by para-nitrophenolate release as...	19875298
Unchecked	Ki	=	4200.0	nM	5.38	Competitive inhibition of Penicillium decumbens alpha-L-rhamnosidase using p-nit...	27789075
Unchecked	IC50	=	5000.0	nM	5.3	Inhibition of Penicillium decumbens alpha-L-rhamnosidase	27789075
Unchecked	IC50	=	10000.0	nM	5.0	Inhibition of Penicillium decumbens alpha-L-rhamnosidase using p-nitrophenyl-gly...	27789075

PubMed	DOI	Target Context	# Activities
27789075	10.1016/j.bmc.2016.10.015	Unchecked	3
19875298	10.1016/j.bmc.2009.10.010	Tissue alpha-L-fucosidase	2
19875298	10.1016/j.bmc.2009.10.010	Unchecked	1

Data from ChEMBL 36 via Core Engine