Compound Detail

CHEMBL3785685

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C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(OC)nc(OC)nc32)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3785685
Phase	Preclinical
Structure Type	MOL
InChI Key	RMLKYCFSCMKGNJ-MEUNMDNISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

336.3

MW (Da)

-1.54

ALogP

HBA

HBD

132.0

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

PubMed	DOI	Target Context	# Activities
26965865	10.1016/j.bmcl.2016.03.005	Human alphaherpesvirus 1	2
26965865	10.1016/j.bmcl.2016.03.005	Human betaherpesvirus 5	2
26965865	10.1016/j.bmcl.2016.03.005	Human alphaherpesvirus 2	2
26965865	10.1016/j.bmcl.2016.03.005	Human immunodeficiency virus 1	2
26965865	10.1016/j.bmcl.2016.03.005	Influenza A virus	2
26965865	10.1016/j.bmcl.2016.03.005	HeLa	1
26965865	10.1016/j.bmcl.2016.03.005	CCRF-CEM	1
26965865	10.1016/j.bmcl.2016.03.005	L1210	1
26965865	10.1016/j.bmcl.2016.03.005	Human immunodeficiency virus 2	1
26965865	10.1016/j.bmcl.2016.03.005	Punta Toro virus	1
26965865	10.1016/j.bmcl.2016.03.005	NON-PROTEIN TARGET	1
26965865	10.1016/j.bmcl.2016.03.005	Sindbis virus	1
26965865	10.1016/j.bmcl.2016.03.005	Influenza B virus	1
26965865	10.1016/j.bmcl.2016.03.005	Human respirovirus 3	1
26965865	10.1016/j.bmcl.2016.03.005	Coxsackievirus B4	1
26965865	10.1016/j.bmcl.2016.03.005	Vesicular stomatitis virus	1
26965865	10.1016/j.bmcl.2016.03.005	Respiratory syncytial virus	1
26965865	10.1016/j.bmcl.2016.03.005	Human adenovirus 2	1

Data from ChEMBL 36 via Core Engine