Compound Detail

CHEMBL1201165

QUINESTROL

💊 Approved Drug

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💊 Approved Drug

C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1201165
Name	QUINESTROL
Phase	Approved
Structure Type	MOL
InChI Key	PWZUUYSISTUNDW-VAFBSOEGSA-N
Therapeutic	✓ Yes

Known Names

Estrovis NSC-759637 Quinestrol W 3566 W-3566

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Mechanisms

Molecular Properties

364.5

MW (Da)

5.23

ALogP

HBA

HBD

29.5

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1982
Availability	Discontinued
Chirality	Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product

USAN Stem	-estr-
USAN Year	1963

Extended Properties

Molecular Formula	C25H32O2
MW	364.53
Aromatic Rings	1
Heavy Atoms	27
NP-Likeness	1.13

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Estrogen receptor agonist	AGONIST	Estrogen receptor	✓	✓

Activity Summary

EC50 4 meas. best 5.71

IC50 4 meas. best 5.22

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Streptococcus sp. 'group A' CHEMBL612389	EC50	5.71	5.71	1941.0	1
Streptokinase A CHEMBL1293228	EC50	5.58	5.58	2605.0	1
Streptococcus CHEMBL612313	EC50	5.38	5.38	4175.0	1
Unchecked CHEMBL612545	EC50	5.35	5.35	4431.0	1
Unchecked CHEMBL612545	IC50	5.22	4.715	6000.0	4

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Streptococcus sp. 'group A'	EC50	=	1941.0	nM	5.71	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptokinase A	EC50	=	2605.0	nM	5.58	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptococcus	EC50	=	4175.0	nM	5.38	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify...	-
Unchecked	EC50	=	4431.0	nM	5.35	PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to...	-
Unchecked	IC50	=	6000.0	nM	5.22	Displacement of 17beta-[3H]estradiol from rabbit uterine estrogen receptor after...	536998
Unchecked	IC50	=	17579.49	nM	4.75	PubChem BioAssay. GLP1 secretion from NCI-H716 cells-IC50. (Class of assay: co...	-
Unchecked	IC50	=	35480.0	nM	4.45	PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun...	-
Unchecked	IC50	=	36560.0	nM	4.44	PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co...	-

Literature References

PubMed	DOI	Target Context	# Activities
20014752	10.1021/tx900326k	Hepatotoxicity	3
536998	10.1021/jm00198a021	Rattus norvegicus	2
37468498	10.1038/s41467-023-40064-9	Mu-type opioid receptor	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M2	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2B	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 1A	2
37468498	10.1038/s41467-023-40064-9	Gamma-aminobutyric acid receptor subunit alpha-1	2
37468498	10.1038/s41467-023-40064-9	Alpha-2A adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2A	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
845869	10.1021/jm00213a010	Rattus norvegicus	2
536998	10.1021/jm00198a021	Unchecked	2
37468498	10.1038/s41467-023-40064-9	Voltage-gated inwardly rectifying potassium channel KCNH2	1
37468498	10.1038/s41467-023-40064-9	Glutamate receptor ionotropic, NMDA 1	1
37468498	10.1038/s41467-023-40064-9	Beta-1 adrenergic receptor	1
37468498	10.1038/s41467-023-40064-9	Beta-2 adrenergic receptor	1
37468498	10.1038/s41467-023-40064-9	Sodium-dependent dopamine transporter	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
-	10.1101/2020.04.21.054387	SARS-CoV-2	1
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2C	1

Data from ChEMBL 36 via Core Engine