Compound Detail

CHEMBL3734943

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c1csc(-c2nc3cc4cccnc4cc3n2C2CCCCC2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3734943
Phase	Preclinical
Structure Type	MOL
InChI Key	UAFUWDXNOLBIJM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

333.5

MW (Da)

5.82

ALogP

HBA

HBD

30.7

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 1 meas. best 4.19

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bovine viral diarrhea virus 1 CHEMBL612571	EC50	4.19	4.19	65000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bovine viral diarrhea virus 1	EC50	=	65000.0	nM	4.19	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