Compound Detail

CHEMBL343382

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CCOc1cccc2nc(N)nc(N)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL343382
Phase	Preclinical
Structure Type	MOL
InChI Key	LRWVBCREDYTZPL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

204.2

MW (Da)

1.19

ALogP

HBA

HBD

87.0

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas.

EC50 2 meas. best 7.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
dengue virus type 2 CHEMBL613966	EC50	7.43	7.43	37.0	1
Unchecked CHEMBL612545	EC50	6.77	6.77	170.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
dengue virus type 2	EC50	=	37.0	nM	7.43	Antiviral activity against Dengue virus 2 infected in BHK-D2RepT replicon system...	22448770
Unchecked	EC50	=	170.0	nM	6.77	Activation of SMN2 promoter in mouse NSC34 cells assessed as induction of beta-l...	18205293

PubMed	DOI	Target Context	# Activities
2404122	10.1021/jm00163a067	Dihydrofolate reductase	3
18205293	10.1021/jm061475p	Unchecked	2
2404122	10.1021/jm00163a067	No relevant target	1
2404122	10.1021/jm00163a067	Staphylococcus aureus	1
2404122	10.1021/jm00163a067	Escherichia coli	1
2404122	10.1021/jm00163a067	Mus musculus	1
20185316	10.1016/j.bmc.2010.01.068	Cryptosporidium parvum	1
22448770	10.1021/jm2015952	dengue virus type 2	1
22448770	10.1021/jm2015952	ADMET	1
22448770	10.1021/jm2015952	Unchecked	1

Data from ChEMBL 36 via Core Engine