Compound Detail

CHEMBL3415890

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Oc1cc(/C=N/NC(=[Se])Nc2ccccc2)cc(O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3415890
Phase	Preclinical
Structure Type	MOL
InChI Key	SPUBDWXABHYYGP-OVCLIPMQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

350.2

MW (Da)

First in Class Prodrug

Molecular Formula	C14H13N3O3Se
MW	350.24

Ki 2 meas. best 4.52

EC50 1 meas. best 5.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
No relevant target CHEMBL2362975	EC50	5.31	5.31	4870.0	1
Unchecked CHEMBL612545	Ki	4.52	4.315	30300.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
No relevant target	EC50	=	4870.0	nM	5.31	Antioxidant activity assessed as DPPH free radical scavenging activity incubated...	25752525
Unchecked	Ki	=	30300.0	nM	4.52	Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucop...	25752525
Unchecked	Ki	=	78400.0	nM	4.11	Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucop...	25752525

PubMed	DOI	Target Context	# Activities
25752525	10.1016/j.ejmech.2015.02.037	Unchecked	5
25752525	10.1016/j.ejmech.2015.02.037	No relevant target	3
25752525	10.1016/j.ejmech.2015.02.037	A549	1
25752525	10.1016/j.ejmech.2015.02.037	NON-PROTEIN TARGET	1
25752525	10.1016/j.ejmech.2015.02.037	SW1573	1
25752525	10.1016/j.ejmech.2015.02.037	HeLa	1
25752525	10.1016/j.ejmech.2015.02.037	T47D	1
25752525	10.1016/j.ejmech.2015.02.037	WiDr	1

Data from ChEMBL 36 via Core Engine