Compound Detail

CHEMBL2442781

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Cc1ccccc1NC(=O)C[C@H]1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2442781
Phase	Preclinical
Structure Type	MOL
InChI Key	BVRCUEHFCXFAMN-RDXHHOOHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

294.4

MW (Da)

-0.23

ALogP

HBA

HBD

101.8

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tissue alpha-L-fucosidase CHEMBL3545	IC50	7.33	7.33	47.0	1
Tissue alpha-L-fucosidase CHEMBL4176	IC50	7.24	7.24	58.0	1
Tissue alpha-L-fucosidase CHEMBL2710	IC50	6.41	6.41	390.0	1
Unchecked CHEMBL612545	IC50	5.15	5.15	7100.0	1
Beta-galactosidase CHEMBL3482	IC50	5.09	5.09	8200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tissue alpha-L-fucosidase	IC50	=	47.0	nM	7.33	Inhibition of bovine kidney alpha-L-fucosidase assessed as inhibition of release...	24026016
Tissue alpha-L-fucosidase	IC50	=	58.0	nM	7.24	Inhibition of human lysosome alpha-L-fucosidase using 4-methylumbelliferyl-alpha...	24026016
Tissue alpha-L-fucosidase	IC50	=	390.0	nM	6.41	Inhibition of rat epididymis alpha-L-fucosidase assessed as inhibition of releas...	24026016
Unchecked	IC50	=	7100.0	nM	5.15	Inhibition of bovine liver beta-glucosidase assessed as inhibition of p-nitrophe...	24026016
Beta-galactosidase	IC50	=	8200.0	nM	5.09	Inhibition of bovine liver beta-galactosidase assessed as inhibition of p-nitrop...	24026016

PubMed	DOI	Target Context	# Activities
24026016	10.1016/j.bmc.2013.08.028	Unchecked	5
24026016	10.1016/j.bmc.2013.08.028	Tissue alpha-L-fucosidase	3
24026016	10.1016/j.bmc.2013.08.028	Beta-galactosidase	1
24026016	10.1016/j.bmc.2013.08.028	Alpha-galactosidase	1

Data from ChEMBL 36 via Core Engine