Compound Detail

CHEMBL592373

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Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL592373
Phase	Preclinical
Structure Type	MOL
InChI Key	QRFZGLTZLZZHCM-NWYMYRDLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1443.3

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C75H62O30
MW	1443.29

Activity Summary

IC50 3 meas. best 4.67

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	4.67	4.67	21400.0	1
Matrix metalloproteinase-9 CHEMBL321	IC50	4.41	4.41	39200.0	1
72 kDa type IV collagenase CHEMBL333	IC50	4.37	4.37	43200.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	21400.0	nM	4.67	Inhibition of collagenase type 4 after 30 mins by fluorescence plate reader	20053563
Matrix metalloproteinase-9	IC50	=	39200.0	nM	4.41	Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate...	20053563
72 kDa type IV collagenase	IC50	=	43200.0	nM	4.37	Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins b...	20053563

Literature References

PubMed	DOI	Target Context	# Activities
20053563	10.1016/j.bmcl.2009.12.059	Unchecked	1
20053563	10.1016/j.bmcl.2009.12.059	72 kDa type IV collagenase	1
20053563	10.1016/j.bmcl.2009.12.059	Matrix metalloproteinase-9	1

Data from ChEMBL 36 via Core Engine