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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
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Ligand

Name	ethisterone
Molecular formula	C21H28O2
IUPAC name	(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular weight	312.453
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.5
Synonyms	Ethynyltestosterone 17 beta-Hydroxy-4,17alpha-pregnen-20-yn-3-one HMS2234J08 17-hydroxy-17alpha-pregn-4-en-20-yn-3-one MLS000069396 4,17alpha-Pregnen-17beta-ol-20-yn-3-one NCGC00159363-02 AB00490005 Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17-alpha)- (9CI) Androst-4-en-3-one, 17alpha-ethynyl-17-hydroxy- Produxan BCP9000664 s2611 CCG-220261 Tox21_111393 DSSTox_GSID_23016 Ethinyltestosterone Etisterone 17-beta-Hydroxy-17-alpha-ethynyl-4-androsten-3-one I034 17alpha-ethynyl-17beta-hydroxy-androst-4-en-3-one Nalutoral 434E037 Nugestoral AC1NR4OD Pregnin AS-13381 Progestolets BRD-K03981224-001-02-9 SR-01000002984 CHEMBL241694 Tox21_302324 E0040 Ethisterone [INN:BAN:NF] (8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one HMS2090E14 17-Ethynyl-17beta-hydroxyandrost-4-en-3-one MCULE-2690578106 17alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy- (8CI) NCGC00021466-06 AB00384255-13 P201BVY1MJ AI3-26421 Prodoxan BCP0726000218 Proluton C C14487 Syngestrotabs CS-2603 ZINC3881635 Ethinone Ethisteronum Etisterona 17-alpha-Ethynyltestosterone HMS3712F04 17alpha-Ethinyl testosterone MLS001076282 4-08-00-01225 (Beilstein Handbook Reference) NCGC00255184-01 AB2000700 Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17alpha)- (9CI) Anhydrohydroxyprogesterone Progestab BDBM50198711 SCHEMBL24475 CHEBI:34749 Tox21_111604 DSSTox_RID_76831 Etisterone [DCIT] 17-Ethinyl testosterone Lucorteum Oral 17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one NCGC00021466-03 A826270 Opera_ID_1078 Aethisteron Prestwick3_000261 B1502 Progestoral BRN 1889895 SR-01000002984-2 CHNXZKVNWQUJIB-CEGNMAFCSA-N Trosinone EC 207-096-5 Ethisterone, >=99% (HPLC) (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one HMS2095F04 17-Hydroxy-17-alpha-pregn-4-en-20-yn-3-one MFCD00003656 17beta-Hydroxy-4,17alpha-pregnen-20-yn-3-one NCGC00095023-01 AB00384255_14 Praegninum AKOS005622724 Prodroxan BCP23355 Prone CAS-434-03-7 Testosterone, 17-ethynyl- DSSTox_CID_3016 Ethinyl testosterone Ethisteronum [INN-Latin] Etisterona [INN-Spanish] 17-alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy- HY-B0487 17alpha-Ethinyltestosterone MolPort-002-507-150 434-03-7 NSC 9565 AC-2170 Pregneninolone Anhydroxyprogesterone Progestin P BPBio1_000114 SMR000058320 Tox21_111604_1 DTXSID2023016 Ethisterone anhydrohydroxyprogesterone (17alpha)-17-hydroxypregn-4-en-20-yn-3-one (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Gestoral 17-Ethinyltestosterone Lutidon Oral 17alpha-Ethynyltestosterone NCGC00021466-05 AB00384255-11 Ora-Lutin Aethisteronum Primolut C BBL028141 Prolutol BSPBio_000102 STK801873 Colutoid UNII-P201BVY1MJ EINECS 207-096-5 Ethisterone, VETRANAL(TM), analytical standard [ Show all ]
Inchi Key	CHNXZKVNWQUJIB-CEGNMAFCSA-N
Inchi ID	InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
PubChem CID	5284557
ChEMBL	CHEMBL241694
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
42169	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
42168	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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