Compound Detail

CHEMBL2348380

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CC(C)(C)CC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2348380
Phase	Preclinical
Structure Type	MOL
InChI Key	LXVIWWDTUQYPOY-IRMYBRCSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

442.6

MW (Da)

1.90

ALogP

HBA

HBD

104.5

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	6.75	6.75	180.0	1
Bovine viral diarrhea virus 1 CHEMBL612571	EC50	6.75	6.75	180.0	1
Tacaribe virus CHEMBL613131	EC50	6.4	6.4	400.0	1
Dengue virus CHEMBL613757	EC50	5.82	5.82	1500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bovine viral diarrhea virus 1	EC50	=	180.0	nM	6.75	Antiviral activity against BVDV infected in MDBK cells assessed as reduction of ...	23453839
Unchecked	EC50	=	180.0	nM	6.75	BVDV antiviral and plaque assays: To evaluate antiviral activity against BVDV, a...	-
Tacaribe virus	EC50	=	400.0	nM	6.4	Antiviral activity against Tacaribe virus infected in human Huh7.5 cells	23453839
Dengue virus	EC50	=	1500.0	nM	5.82	Antiviral activity against Dengue virus infected in BHK cells	23453839

PubMed	DOI	Target Context	# Activities
23453839	10.1016/j.bmcl.2013.01.108	ADMET	3
23453839	10.1016/j.bmcl.2013.01.108	Bovine viral diarrhea virus 1	2
23453839	10.1016/j.bmcl.2013.01.108	Tacaribe virus	1
23453839	10.1016/j.bmcl.2013.01.108	Dengue virus	1

Data from ChEMBL 36 via Core Engine