Compound Detail

CHEMBL3288285

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CCCCCCC1(N)C2CC3CC(C2)CC1C3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3288285
Phase	Preclinical
Structure Type	MOL
InChI Key	BXGHRCWGQRXQTQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

235.4

MW (Da)

4.11

ALogP

HBA

HBD

26.0

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 7.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Influenza A virus CHEMBL613740	EC50	7.16	5.9575	70.0	4
NON-PROTEIN TARGET CHEMBL3879801	EC50	6.89	6.89	130.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Influenza A virus	EC50	=	70.0	nM	7.16	Antiviral activity against Influenza A virus (A/Puerto Rico/8/34(H1N1)) infected...	24793875
NON-PROTEIN TARGET	EC50	=	130.0	nM	6.89	Antiviral activity against Influenza A virus (A/California/07/2009(H1N1)) infect...	24793875
Influenza A virus	EC50	=	1100.0	nM	5.96	Antiviral activity against Influenza A virus A/Victoria/3/75(H3N2) infected in M...	24793875
Influenza A virus	EC50	=	1500.0	nM	5.82	Antiviral activity against Influenza A virus A2/Taiwan/1/64(H2N2) infected in MD...	24793875
Influenza A virus	EC50	=	13000.0	nM	4.89	Antiviral activity against Influenza A virus A/WS/33(H1N1) infected in MDCK cell...	24793875

PubMed	DOI	Target Context	# Activities
24793875	10.1021/jm500598u	Influenza A virus	4
24793875	10.1021/jm500598u	NON-PROTEIN TARGET	1
24793875	10.1021/jm500598u	MDCK	1

Data from ChEMBL 36 via Core Engine