EcoDrugPlus


Synonyms	Atamestane SH-489
Status
Molecule Category	Free-form
UNII	62GA3K28B6


InChI Key	PEPMWUSGRKINHX-TXTPUJOMSA-N
Smiles	CC1=CC(=O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]12C
InChI	InChI=1S/C20H26O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10-11,15-17H,4-9H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1

Property Name	Value
Molecular Formula	C20H26O2
Molecular Weight	298.43
AlogP	4.25
Hydrogen Bond Acceptor	2.0
Polar Surface Area	34.14
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	22.0

Resources	Reference
ChEMBL	CHEMBL2105987
DrugBank	DB12194
FDA SRS	62GA3K28B6
PubChem	57050
SureChEMBL	SCHEMBL59128
ZINC	ZINC000004214890

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ATAMESTANE

Structure

Physicochemical Descriptors

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