Compound Detail

CHEMBL3617483

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Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)cc4O)cc3)[nH]c2cc1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3617483
Phase	Preclinical
Structure Type	MOL
InChI Key	RBLHYGAFXSPUFJ-WYMPLXKRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

400.4

MW (Da)

4.02

ALogP

HBA

HBD

110.6

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.1

EC50 1 meas. best 5.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	5.14	5.14	7280.0	1
Unchecked CHEMBL612545	IC50	5.1	4.9325	8000.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	EC50	=	7280.0	nM	5.14	Cytoprotective activity in rat INS-1E cells assessed as restoration of recombina...	26330080
Unchecked	IC50	=	8000.0	nM	5.1	Inhibition of baker's yeast alpha-glucosidase using PNPG as substrate preincubat...	35367706
Unchecked	IC50	=	8400.0	nM	5.08	Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid...	31112894
Unchecked	IC50	=	16380.0	nM	4.79	Cytoprotective activity in rat INS-1E cells assessed as suppression of recombina...	26330080
Unchecked	IC50	=	17480.0	nM	4.76	Cytoprotective activity in rat INS-1E cells assessed as suppression of recombina...	26330080

PubMed	DOI	Target Context	# Activities
26330080	10.1016/j.bmcl.2015.08.022	Unchecked	8
31112894	10.1016/j.ejmech.2019.04.025	Unchecked	1
35367706	10.1016/j.ejmech.2022.114282	Unchecked	1

Data from ChEMBL 36 via Core Engine