Compound Detail

CHEMBL1086765

ERYBREADIN C

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CC(C)=CCc1cc2c(cc1O)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@H]21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1086765
Name	ERYBREADIN C
Phase	Preclinical
Structure Type	MOL
InChI Key	SAXBNTXROWQAKX-CPJSRVTESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

392.5

MW (Da)

5.72

ALogP

HBA

HBD

58.9

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 5.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	5.14	5.14	7300.0	1
MCF7 CHEMBL387	IC50	5.04	4.8567	9100.0	3
MDA-MB-231 CHEMBL400	IC50	4.64	4.64	22700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	7300.0	nM	5.14	Inhibition of human recombinant PTP1B assessed as p-nitrophenol production	19836230
MCF7	IC50	=	9100.0	nM	5.04	Cytotoxicity against human tamoxifen-resistant MCF7 cells by WST-1 assay	19836230
MCF7	IC50	=	14800.0	nM	4.83	Cytotoxicity against human MCF7 cells by WST-1 assay	19836230
MCF7	IC50	=	20100.0	nM	4.7	Cytotoxicity against human adriamycin- resistant MCF7 cells by WST-1 assay	19836230
MDA-MB-231	IC50	=	22700.0	nM	4.64	Cytotoxicity against human MDA-MB-231 cells by WST-1 assay	19836230

PubMed	DOI	Target Context	# Activities
19836230	10.1016/j.bmcl.2009.09.108	MCF7	3
19836230	10.1016/j.bmcl.2009.09.108	Tyrosine-protein phosphatase non-receptor type 1	1
19836230	10.1016/j.bmcl.2009.09.108	MDA-MB-231	1
28189086	10.1016/j.ejmech.2017.01.023	Vero	1

Data from ChEMBL 36 via Core Engine