Compound Detail

CHEMBL2393392

Enter ChEMBL ID:

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

C[C@H]1[C@@H](CC(COP(=O)(OC2CCCCC2)OC2CCCCC2)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2393392
Phase	Preclinical
Structure Type	MOL
InChI Key	QBFNODSFUGVKBX-SIQDRCAUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

851.1

MW (Da)

10.71

ALogP

HBA

HBD

118.6

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C46H75O12P
MW	851.07
Aromatic Rings	0
Heavy Atoms	59
NP-Likeness	1.38

Activity Summary

IC50 2 meas. best 6.54

EC50 1 meas. best 7.36

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cytomegalovirus CHEMBL613134	EC50	7.36	7.36	44.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.54	6.54	287.0	1
PBMC CHEMBL613107	IC50	5.69	5.69	2031.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cytomegalovirus	EC50	=	44.0	nM	7.36	Antiviral activity against Cytomegalovirus infected in HFF after 72 hrs by lucif...	23673218
NON-PROTEIN TARGET	IC50	=	287.0	nM	6.54	Cytotoxicity against human JURKAT-TALL cells after 48 hrs by Alamar Blue assay	23673218
PBMC	IC50	=	2031.0	nM	5.69	Cytotoxicity against PHA-stimulated human PBMC cells after 48 hrs by Alamar Blue...	23673218

Literature References

PubMed	DOI	Target Context	# Activities
23673218	10.1016/j.bmc.2013.04.027	ADMET	1
23673218	10.1016/j.bmc.2013.04.027	PBMC	1
23673218	10.1016/j.bmc.2013.04.027	NON-PROTEIN TARGET	1
23673218	10.1016/j.bmc.2013.04.027	Cytomegalovirus	1

Data from ChEMBL 36 via Core Engine