Compound Detail

CHEMBL1627464

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C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CCC21C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1627464
Phase	Preclinical
Structure Type	MOL
InChI Key	BFPYWIDHMRZLRN-QDSUGMFFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

296.4

MW (Da)

3.61

ALogP

HBA

HBD

40.5

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

Ki 10 meas. best 10.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Estrogen receptor beta CHEMBL242	Ki	10.6	10.6	0.0	5
Estrogen receptor CHEMBL206	Ki	9.64	9.64	0.2	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Estrogen receptor beta	Ki	=	0.025	nM	10.6	Binding Assay: The method employed was adapted from the scientific literature an...	-
Estrogen receptor beta	Ki	=	0.025	nM	10.6	Inhibition Assay: The method employed was adapted from the scientific literature...	-
Estrogen receptor beta	Ki	=	0.025	nM	10.6	Binding Assay: The method employed was adapted from the scientific literature an...	-
Estrogen receptor beta	Ki	=	0.025	nM	10.6	Inhibition Assay: The method employed was adapted from the scientific literature...	-
Estrogen receptor beta	Ki	=	0.025	nM	10.6	In Vitro Assay: The method employed was adapted from the scientific literature a...	-
Estrogen receptor	Ki	=	0.23	nM	9.64	Binding Assay: The method employed was adapted from the scientific literature an...	-
Estrogen receptor	Ki	=	0.23	nM	9.64	Inhibition Assay: The method employed was adapted from the scientific literature...	-
Estrogen receptor	Ki	=	0.23	nM	9.64	Binding Assay: The method employed was adapted from the scientific literature an...	-
Estrogen receptor	Ki	=	0.23	nM	9.64	Inhibition Assay: The method employed was adapted from the scientific literature...	-
Estrogen receptor	Ki	=	0.23	nM	9.64	In Vitro Assay: The method employed was adapted from the scientific literature a...	-

Data from ChEMBL 36 via Core Engine