Compound Detail

CHEMBL6619

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Oc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6619
Phase	Preclinical
Structure Type	MOL
InChI Key	POEZOFHZEJTFHF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

280.4

MW (Da)

4.86

ALogP

HBA

HBD

40.5

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 8.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MCF7 CHEMBL387	EC50	8.35	8.35	4.5	1
MCF7S CHEMBL614328	EC50	8.35	8.35	4.5	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MCF7	EC50	=	4.5	nM	8.35	Effective dose for [3H]- estradiol against proliferation of MCF-7 cells	2769681
MCF7S	EC50	=	4.51	nM	8.35	Agonist activity against MCF-7 cell proliferation	1738150

PubMed	DOI	Target Context	# Activities
2769681	10.1021/jm00129a013	MCF7	6
1738150	10.1021/jm00081a021	MCF7S	6
12699377	10.1021/jm0204800	Estrogen receptor	5
12699377	10.1021/jm0204800	Estrogen receptor beta	4
2769681	10.1021/jm00129a013	Estrogen receptor	3
1738150	10.1021/jm00081a021	Protein kinase C, PKC; classical	2
1738150	10.1021/jm00081a021	BT-20	2
1738150	10.1021/jm00081a021	Estrogen receptor	2
2769681	10.1021/jm00129a013	BT-20	2
6251218	10.1021/jm00183a008	Estrogen receptor	1
1738150	10.1021/jm00081a021	Unchecked	1
16610793	10.1021/jm0512037	Steroid hormone receptor ERR1	1
16610793	10.1021/jm0512037	Steroid hormone receptor ERR2	1
16610793	10.1021/jm0512037	Unchecked	1
20334372	10.1021/jm100047k	Unchecked	1
20334372	10.1021/jm100047k	Estrogen receptor beta	1
20334372	10.1021/jm100047k	Estrogen receptor	1

Data from ChEMBL 36 via Core Engine