Compound Detail

CHEMBL3037784

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CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3037784
Phase	Preclinical
Structure Type	MOL
InChI Key	DQXPFAADCTZLNL-FXDJFZINSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1065.2

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C50H80N8O17
MW	1065.23

Activity Summary

IC50 3 meas. best 7.45

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Beta-1,3-glucan synthase CHEMBL2037	IC50	7.45	7.45	35.7	1
Candida albicans CHEMBL366	IC50	7.16	7.16	70.0	1
Unchecked CHEMBL612545	IC50	7.16	7.16	70.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Beta-1,3-glucan synthase	IC50	=	35.7	nM	7.45	Inhibition of wild type Candida albicans 1,3-beta-D-glucan synthase using UDP[6,...	23623416
Unchecked	IC50	=	70.0	nM	7.16	Inhibition of candida albicans beta-(1,3)-glucan synthase assessed as decrease i...	-
Candida albicans	IC50	=	70.0	nM	7.16	Antifungal activity against Candida albicans GS	34213340

Literature References

PubMed	DOI	Target Context	# Activities
23623416	10.1016/j.bmcl.2013.03.115	Candida albicans	11
23623416	10.1016/j.bmcl.2013.03.115	Meyerozyma guilliermondii	2
23623416	10.1016/j.bmcl.2013.03.115	Aspergillus fumigatus	2
23623416	10.1016/j.bmcl.2013.03.115	Candida parapsilosis	2
23623416	10.1016/j.bmcl.2013.03.115	Pichia kudriavzevii	2
23623416	10.1016/j.bmcl.2013.03.115	Clavispora lusitaniae	2
34213340	10.1021/acs.jmedchem.1c00790	Candida albicans	2
23623416	10.1016/j.bmcl.2013.03.115	Beta-1,3-glucan synthase	1
23623416	10.1016/j.bmcl.2013.03.115	Escherichia coli	1
23623416	10.1016/j.bmcl.2013.03.115	Staphylococcus aureus	1
23623416	10.1016/j.bmcl.2013.03.115	Cryptococcus neoformans	1
23623416	10.1016/j.bmcl.2013.03.115	Nakaseomyces glabratus	1
-	10.1039/C4MD00086B	Unchecked	1

Data from ChEMBL 36 via Core Engine