Compound Detail

CHEMBL2312735

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Nc1ncc(I)c2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2312735
Phase	Preclinical
Structure Type	MOL
InChI Key	MSJYLMLBFWCYTR-OFLNYADTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

376.1

MW (Da)

-0.35

ALogP

HBA

HBD

117.4

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 9 meas. best 6.09

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatitis B virus CHEMBL613497	EC50	6.09	6.09	808.0	1
Cytomegalovirus CHEMBL613134	EC50	5.92	5.92	1200.0	1
Influenza B virus CHEMBL613129	EC50	5.66	5.66	2200.0	1
Measles morbillivirus CHEMBL613738	EC50	5.54	5.54	2900.0	1
Mammalian orthoreovirus 1 CHEMBL612927	EC50	5.4	5.4	4000.0	1
Vaccinia virus CHEMBL613493	EC50	5.4	5.4	4000.0	1
Vesicular stomatitis virus CHEMBL613739	EC50	5.4	5.4	4000.0	1
Human respirovirus 3 CHEMBL613126	EC50	4.7	4.7	20000.0	1
Influenza A virus CHEMBL613740	EC50	4.36	4.36	44000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatitis B virus	EC50	=	808.0	nM	6.09	Antiviral activity against Hepatitis B virus infected in human HepG 2.215 cells ...	23176752
Cytomegalovirus	EC50	=	1200.0	nM	5.92	Antiviral activity against human cytomegalovirus infected in human HFF cells ass...	23176752
Influenza B virus	EC50	=	2200.0	nM	5.66	Antiviral activity against influenza B virus infected in MDCK cells assessed as ...	23176752
Measles morbillivirus	EC50	=	2900.0	nM	5.54	Antiviral activity against Measles virus infected in african green monkey CV1 ce...	23176752
Mammalian orthoreovirus 1	EC50	=	4000.0	nM	5.4	Antiviral activity against Reovirus 1 infected in african green monkey Vero cell...	23176752
Vesicular stomatitis virus	EC50	=	4000.0	nM	5.4	Antiviral activity against Vesicular stomatitis virus infected in human HEL cell...	23176752
Vaccinia virus	EC50	=	4000.0	nM	5.4	Antiviral activity against Vaccinia virus infected in human HEL cells assessed a...	23176752
Human respirovirus 3	EC50	=	20000.0	nM	4.7	Antiviral activity against Human parainfluenzae virus 3 infected in african gree...	23176752
Influenza A virus	EC50	=	44000.0	nM	4.36	Antiviral activity against influenza A virus H5N1 infected in MDCK cells assesse...	23176752

PubMed	DOI	Target Context	# Activities
23176752	10.1016/j.bmc.2012.09.051	Unchecked	6
23176752	10.1016/j.bmc.2012.09.051	Influenza A virus	3
23176752	10.1016/j.bmc.2012.09.051	Respiratory syncytial virus	1
23176752	10.1016/j.bmc.2012.09.051	Punta Toro virus	1
23176752	10.1016/j.bmc.2012.09.051	Rift Valley fever virus	1
23176752	10.1016/j.bmc.2012.09.051	Tacaribe virus	1
23176752	10.1016/j.bmc.2012.09.051	Dengue virus	1
23176752	10.1016/j.bmc.2012.09.051	West Nile virus	1
23176752	10.1016/j.bmc.2012.09.051	Yellow fever virus	1
23176752	10.1016/j.bmc.2012.09.051	Cowpox virus	1
23176752	10.1016/j.bmc.2012.09.051	Enterovirus	1
23176752	10.1016/j.bmc.2012.09.051	unidentified adenovirus	1
23176752	10.1016/j.bmc.2012.09.051	Human immunodeficiency virus 2	1
23176752	10.1016/j.bmc.2012.09.051	Human gammaherpesvirus 4	1
23176752	10.1016/j.bmc.2012.09.051	Coxsackievirus B4	1
23176752	10.1016/j.bmc.2012.09.051	Sindbis virus	1
23176752	10.1016/j.bmc.2012.09.051	Human alphaherpesvirus 1	1
23176752	10.1016/j.bmc.2012.09.051	Human alphaherpesvirus 2	1
23176752	10.1016/j.bmc.2012.09.051	Feline coronavirus	1
23176752	10.1016/j.bmc.2012.09.051	Haemophilus parainfluenzae	1

Data from ChEMBL 36 via Core Engine