Compound Detail

CHEMBL4794921

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[N-]=[N+]=N[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)C(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4794921
Phase	Preclinical
Structure Type	MOL
InChI Key	LQQRRPARAHFHIA-LRGKAINGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

370.2

MW (Da)

-1.21

ALogP

HBA

HBD

185.1

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hemagglutinin-neuraminidase CHEMBL1764934	IC50	7.22	6.91	60.0	2
Unchecked CHEMBL612545	IC50	7.1	7.02	80.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hemagglutinin-neuraminidase	IC50	=	60.0	nM	7.22	Inhibition of human parainfluenza virus type 1 Sendai Hemagglutinin-Neuraminidas...	37849540
Unchecked	IC50	=	80.0	nM	7.1	Inhibition of Newcastle disease virus LaSota Clone 30 Hemagglutinin-Neuraminidas...	37849540
Unchecked	IC50	=	80.0	nM	7.1	Inhibition of Newcastle disease virus LaSota 40/14Hemagglutinin-Neuraminidase us...	37849540
Unchecked	IC50	=	80.0	nM	7.1	Inhibition of Newcastle disease virus APMV-1/chicken/Egypt/13VIR-5009-2/2013 Hem...	37849540
Unchecked	IC50	=	166.0	nM	6.78	Inhibition of Newcastle disease virus neuraminidase using 4-MUNeu5Ac as substrat...	32616179
Hemagglutinin-neuraminidase	IC50	=	250.0	nM	6.6	Inhibition of human parainfluenza virus type 1 Sendai Hemagglutinin-Neuraminidas...	37849540

PubMed	DOI	Target Context	# Activities
37849540	10.1021/acsmedchemlett.3c00291	Unchecked	3
37849540	10.1021/acsmedchemlett.3c00291	Hemagglutinin-neuraminidase	2
32616179	10.1016/j.bmc.2020.115563	Unchecked	1

Data from ChEMBL 36 via Core Engine