Compound Detail

CHEMBL602496

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Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccs3)c(-c3ccccc3)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL602496
Phase	Preclinical
Structure Type	MOL
InChI Key	GJNSTZRDHBKZKD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

386.4

MW (Da)

5.81

ALogP

HBA

HBD

60.4

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Influenza B virus CHEMBL613129	IC50	7.4	7.1667	40.0	3
Influenza A virus CHEMBL613740	IC50	7.16	7.01	70.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Influenza B virus	IC50	=	40.0	nM	7.4	Antiviral activity against human influenza B virus B/TW/99/07 in MDCK cells asse...	20092255
Influenza A virus	IC50	=	70.0	nM	7.16	Antiviral activity against human influenza A virus A/WSN/33 (H1N1) in MDCK cells...	20092255
Influenza A virus	IC50	=	90.0	nM	7.05	Antiviral activity against human influenza A virus A/TW/141/04 (H1N1) in MDCK ce...	20092255
Influenza B virus	IC50	=	90.0	nM	7.05	Antiviral activity against human influenza B virus B/TW/710/05 in MDCK cells ass...	20092255
Influenza B virus	IC50	=	90.0	nM	7.05	Antiviral activity against human influenza B virus B/TW/70325/05 in MDCK cells a...	20092255
Influenza A virus	IC50	=	150.0	nM	6.82	Antiviral activity against human influenza A virus A/TW/3446/04 (H3N2) in MDCK c...	20092255

PubMed	DOI	Target Context	# Activities
20092255	10.1021/jm901570x	Influenza A virus	11
20092255	10.1021/jm901570x	Influenza B virus	3
20092255	10.1021/jm901570x	Matrix protein 2	2
20092255	10.1021/jm901570x	MDCK	1

Data from ChEMBL 36 via Core Engine