Compound Detail

CHEMBL396380

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N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL396380
Phase	Preclinical
Structure Type	MOL
InChI Key	LBNVXZROMBUNNQ-SLPGGIOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

261.2

MW (Da)

-3.50

ALogP

HBA

HBD

173.7

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 4.25

Ki 1 meas. best 4.46

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	4.46	4.46	35000.0	1
Unchecked CHEMBL612545	IC50	4.25	4.25	56000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	35000.0	nM	4.46	Inhibition of Candida albicans glucosamine-6P synthase by Elson-Morgan method	17920268
Unchecked	IC50	=	56000.0	nM	4.25	Inhibition of bacterial glucosamine-6-phosphate synthase by colorimetric morgan-...	17291748

PubMed	DOI	Target Context	# Activities
17291748	10.1016/j.bmcl.2007.01.052	Unchecked	2
17920268	10.1016/j.bmcl.2007.09.072	Unchecked	2
17920268	10.1016/j.bmcl.2007.09.072	Candida albicans	2
17920268	10.1016/j.bmcl.2007.09.072	Saccharomyces cerevisiae	2
32692166	10.1021/acs.jmedchem.0c00748	Candida albicans	2
17920268	10.1016/j.bmcl.2007.09.072	Glucose-6-phosphate isomerase	1
17920268	10.1016/j.bmcl.2007.09.072	Nakaseomyces glabratus	1
17920268	10.1016/j.bmcl.2007.09.072	Candida tropicalis	1
32692166	10.1021/acs.jmedchem.0c00748	Unchecked	1

Data from ChEMBL 36 via Core Engine