Compound Detail

CHEMBL16632

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CC(C)CC1=N/C(=C\c2ccc(F)cc2)C(=O)N(O)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL16632
Phase	Preclinical
Structure Type	MOL
InChI Key	RWESAIHPWZKTLT-JYRVWZFOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

290.3

MW (Da)

2.41

ALogP

HBA

HBD

70.0

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Polymerase acidic protein CHEMBL1169598	IC50	6.05	6.05	900.0	3
Unchecked CHEMBL612545	IC50	6.05	6.05	891.2	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Polymerase acidic protein	IC50	=	900.0	nM	6.05	Inhibitory concentration against cap-dependent endonuclease activity of influenz...	12646026
Polymerase acidic protein	IC50	=	900.0	nM	6.05	Inhibition of cap 1 ALMV primed Influenza transcriptase	11485475
Unchecked	IC50	=	891.25	nM	6.05	Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl...	24365156
Polymerase acidic protein	IC50	=	900.0	nM	6.05	Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880...	28118010

PubMed	DOI	Target Context	# Activities
12646026	10.1021/jm020334u	Polymerase acidic protein	1
11485475	10.1021/jo015665d	Polymerase acidic protein	1
24365156	10.1016/j.bmcl.2013.12.026	Unchecked	1
28118010	10.1021/acs.jmedchem.6b01227	Polymerase acidic protein	1

Data from ChEMBL 36 via Core Engine