Compound Detail

CHEMBL2401742

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O=S(=O)(c1ccccc1)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2401742
Phase	Preclinical
Structure Type	MOL
InChI Key	DJFNUHQLIVGXTD-UEQSERJNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

484.7

MW (Da)

1.33

ALogP

HBA

HBD

121.5

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	6.3	6.3	500.0	1
Bovine viral diarrhea virus 1 CHEMBL612571	EC50	6.3	6.3	500.0	1
Tacaribe virus CHEMBL613131	EC50	5.8	5.8	1600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bovine viral diarrhea virus 1	EC50	=	500.0	nM	6.3	Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as...	23747225
Unchecked	EC50	=	500.0	nM	6.3	BVDV antiviral and plaque assays: To evaluate antiviral activity against BVDV, a...	-
Tacaribe virus	EC50	=	1600.0	nM	5.8	Antiviral activity against Tacaribe virus infected in human Huh7.5 cells assesse...	23747225

PubMed	DOI	Target Context	# Activities
23747225	10.1016/j.bmcl.2013.04.052	ADMET	2
23747225	10.1016/j.bmcl.2013.04.052	Liver microsomes	2
23747225	10.1016/j.bmcl.2013.04.052	Tacaribe virus	1
23747225	10.1016/j.bmcl.2013.04.052	Bovine viral diarrhea virus 1	1
23747225	10.1016/j.bmcl.2013.04.052	Liver	1

Data from ChEMBL 36 via Core Engine