Compound Detail

CHEMBL3735842

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CCCn1c(=O)c(-c2ccccc2)nc2cc3cccnc3c(Cl)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3735842
Phase	Preclinical
Structure Type	MOL
InChI Key	FVZIAFSNAKADJZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

349.8

MW (Da)

4.68

ALogP

HBA

HBD

47.8

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 5.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Coxsackievirus B5 CHEMBL613555	EC50	5.16	5.16	7000.0	1
Bovine viral diarrhea virus 1 CHEMBL612571	EC50	4.48	4.48	33000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Coxsackievirus B5	EC50	=	7000.0	nM	5.16	Antiviral activity against CVB-5 virus Faulkner ATCC VR-185 infected in african ...	26479028
Bovine viral diarrhea virus 1	EC50	=	33000.0	nM	4.48	Antiviral activity against BVDV NADL ATCC VR-534 infected in MDBK cells assessed...	26479028

PubMed	DOI	Target Context	# Activities
26479028	10.1016/j.ejmech.2015.10.002	ADMET	3
26479028	10.1016/j.ejmech.2015.10.002	Human immunodeficiency virus 1	1
26479028	10.1016/j.ejmech.2015.10.002	MT4	1
26479028	10.1016/j.ejmech.2015.10.002	Bovine viral diarrhea virus 1	1
26479028	10.1016/j.ejmech.2015.10.002	Yellow fever virus	1
26479028	10.1016/j.ejmech.2015.10.002	NON-PROTEIN TARGET	1
26479028	10.1016/j.ejmech.2015.10.002	Coxsackievirus B5	1
26479028	10.1016/j.ejmech.2015.10.002	Human poliovirus 1 strain Sabin	1
26479028	10.1016/j.ejmech.2015.10.002	Respiratory syncytial virus	1
26479028	10.1016/j.ejmech.2015.10.002	Vesicular stomatitis virus	1
26479028	10.1016/j.ejmech.2015.10.002	Vaccinia virus	1
26479028	10.1016/j.ejmech.2015.10.002	Human alphaherpesvirus 1	1

Data from ChEMBL 36 via Core Engine