Compound Detail

CHEMBL3735809

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Cn1c(=O)c(-c2cccs2)nc2c(Cl)c3ncccc3cc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3735809
Phase	Preclinical
Structure Type	MOL
InChI Key	RSMXRWCQFNJNNG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

327.8

MW (Da)

3.86

ALogP

HBA

HBD

47.8

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 5.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.7	5.7	2000.0	1
Bovine viral diarrhea virus 1 CHEMBL612571	EC50	5.7	5.7	2000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bovine viral diarrhea virus 1	EC50	=	2000.0	nM	5.7	Antiviral activity against BVDV NADL ATCC VR-534 infected in MDBK cells assessed...	26479028
NON-PROTEIN TARGET	EC50	=	2000.0	nM	5.7	Antiviral activity against BVDV NADL infected in MDBK cells assessed as inhibiti...	27161176

PubMed	DOI	Target Context	# Activities
26479028	10.1016/j.ejmech.2015.10.002	ADMET	3
26479028	10.1016/j.ejmech.2015.10.002	MT4	1
26479028	10.1016/j.ejmech.2015.10.002	Human immunodeficiency virus 1	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
27161176	10.1016/j.ejmech.2016.03.080	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine