ALLYLESTRENOL


Synonyms	Allylestrenol Allyloestrenol Gestanin NSC-37723 Perselin
Status
Molecule Category	Free-form
ATC	G03DC01
UNII	I47VB5DZ8O

Structure


InChI Key	ATXHVCQZZJYMCF-XZCODKSBSA-N
Smiles	C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C
InChI	InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16?,17-,18-,19+,20+,21+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H32O
Molecular Weight	300.49
AlogP	5.26
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	20.23
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	22.0

Pharmacology

Mechanism of Action	Action	Reference
Estrogen receptor agonist	AGONIST	PubMed PubMed PubMed PubMed

Target Conservation


Protein: Estrogen receptor Description: Estrogen receptor Organism : Homo sapiens P03372 ENSG00000091831












Protein: Progesterone receptor Description: Progesterone receptor Organism : Homo sapiens P06401 ENSG00000082175










Protein: Estrogen receptor Description: Estrogen receptor beta Organism : Homo sapiens Q92731 ENSG00000140009

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL2105618
FDA SRS	I47VB5DZ8O
PubChem	235905

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025