Compound Detail

CHEMBL225045

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Nc1nc(O)c2[nH]cc([C@@H]3C=C(CO)[C@@H](O)[C@H]3O)c2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL225045
Phase	Preclinical
Structure Type	MOL
InChI Key	DMBWFFNIQQIPGN-DWFIKQFRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

278.3

MW (Da)

-1.02

ALogP

HBA

HBD

148.5

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 1 meas. best 5.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Punta Toro virus CHEMBL613741	EC50	5.6	5.6	2500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Punta Toro virus	EC50	=	2500.0	nM	5.6	Antiviral activity against Punta Toro virus	17085053

PubMed	DOI	Target Context	# Activities
17085053	10.1016/j.bmc.2006.10.043	SARS-CoV	2
17085053	10.1016/j.bmc.2006.10.043	Punta Toro virus	2
17085053	10.1016/j.bmc.2006.10.043	West Nile virus	2
17085053	10.1016/j.bmc.2006.10.043	Cowpox virus	2
17085053	10.1016/j.bmc.2006.10.043	Human immunodeficiency virus 1	2
17085053	10.1016/j.bmc.2006.10.043	Yellow fever virus	1
17085053	10.1016/j.bmc.2006.10.043	LLC-MK2	1
17085053	10.1016/j.bmc.2006.10.043	Hepatitis C virus	1
17085053	10.1016/j.bmc.2006.10.043	Dengue virus	1
17085053	10.1016/j.bmc.2006.10.043	Venezuelan equine encephalitis virus	1
17085053	10.1016/j.bmc.2006.10.043	Tacaribe virus	1
17085053	10.1016/j.bmc.2006.10.043	Human alphaherpesvirus 3	1
17085053	10.1016/j.bmc.2006.10.043	Human alphaherpesvirus 2	1
17085053	10.1016/j.bmc.2006.10.043	Human alphaherpesvirus 1	1
17085053	10.1016/j.bmc.2006.10.043	Vaccinia virus	1
17085053	10.1016/j.bmc.2006.10.043	Vero	1
17085053	10.1016/j.bmc.2006.10.043	CCRF-CEM	1
17085053	10.1016/j.bmc.2006.10.043	ADMET	1

Data from ChEMBL 36 via Core Engine