Compound Detail

CHEMBL16377

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CC(=O)c1c(O)n(O)c2cc(NC(=O)c3ccc4ccccc4c3)ccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL16377
Phase	Preclinical
Structure Type	MOL
InChI Key	ZTZXYRRDBCFZQC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

360.4

MW (Da)

4.19

ALogP

HBA

HBD

91.6

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.05

EC50 1 meas. best 4.68

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Polymerase acidic protein CHEMBL1169598	IC50	5.05	5.05	9000.0	1
Unchecked CHEMBL612545	IC50	5.05	5.05	8912.5	1
unidentified influenza virus CHEMBL613128	IC50	5.05	5.05	9000.0	1
Polymerase acidic protein CHEMBL2028641	IC50	4.75	4.75	18000.0	1
unidentified influenza virus CHEMBL613128	EC50	4.68	4.68	21000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Polymerase acidic protein	IC50	=	9000.0	nM	5.05	Inhibitory concentration against cap-dependent endonuclease activity of influenz...	12646026
unidentified influenza virus	IC50	=	9000.0	nM	5.05	Antiviral activity against influenza virus	19112024
Unchecked	IC50	=	8912.51	nM	5.05	Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl...	24365156
Polymerase acidic protein	IC50	=	18000.0	nM	4.75	Inhibitory concentration against cap-dependent endonuclease activity of influenz...	12646026
unidentified influenza virus	EC50	=	21000.0	nM	4.68	Effective concentration against influenza virus in MDCK cells	12646026

PubMed	DOI	Target Context	# Activities
12646026	10.1021/jm020334u	Polymerase acidic protein	2
12646026	10.1021/jm020334u	unidentified influenza virus	1
19112024	10.1016/j.bmc.2008.11.075	unidentified influenza virus	1
24365156	10.1016/j.bmcl.2013.12.026	Unchecked	1

Data from ChEMBL 36 via Core Engine