Compound Detail

CHEMBL1253515

ACULEACIN A

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CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@@H](C)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	CHEMBL1253515
Name	ACULEACIN A
Phase	Preclinical
Structure Type	MOL
InChI Key	YKPHLXGEPNYRPY-ZIUFDZNVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1036.2

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C50H81N7O16
MW	1036.23

Activity Summary

IC50 2 meas. best 5.1

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Beta-1,3-glucan synthase CHEMBL2037	IC50	5.1	5.1	8000.0	1
Unchecked CHEMBL612545	IC50	4.92	4.92	12000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Beta-1,3-glucan synthase	IC50	=	8000.0	nM	5.1	Inhibition of Candida albicans 1,3 beta-D-glucan synthase	20813534
Unchecked	IC50	=	12000.0	nM	4.92	Inhibition of beta (1,3) glucan synthase in Candida albicans cell membrane using...	22230049

Literature References

PubMed	DOI	Target Context	# Activities
19015325	10.1128/aac.00844-08	Saccharomyces cerevisiae	25
19015325	10.1128/aac.00844-08	Nakaseomyces glabratus	2
20813534	10.1016/j.bmc.2010.08.022	Beta-1,3-glucan synthase	1
20813534	10.1016/j.bmc.2010.08.022	Candida albicans	1
22230049	10.1016/j.bmcl.2011.12.051	Candida albicans	1
22230049	10.1016/j.bmcl.2011.12.051	Unchecked	1
22460034	10.1016/j.bmcl.2012.03.006	Saccharomyces cerevisiae	1

Data from ChEMBL 36 via Core Engine