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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.
Go back to previous page.

Ligand

Name	Gestrinone
Molecular formula	C21H24O2
IUPAC name	(8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular weight	308.421
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.2
Synonyms	A-46745 CC-28968 DTXSID4023094 Gestrinone [USAN:BAN:INN] LS-185034 R-2323 Tridomose (8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one 16320-04-0 18,19-Dinorpregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)- (9CI) AKOS015894932 CHEMBL1868702 Dimetrose Gestrigone Gestrinonum [INN-Latin] NCGC00167457-01 SCHEMBL217651 13-ethyl-17-hydroxy-18,19-Dinor-17a-pregna-4,9,11-trien-20-yn-3-one A 46 745 C-19158 D04317 DSSTox_GSID_23094 HY-101405 Pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)- Tox21_112461 (17alpha)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-20-yn-3-one 13-Ethyl-17\|A-ethynyl-17\|A-hydroxygona-4,9,11-trien-3-one 18,19-Dinor-17-alpha-pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy- AB01275442-01 CCG-220967 DB11619 Ethylnorgestrienone Gestrinone [USAN:INN:BAN] LS-62072 RU 2323 UNII-1421533RCM 13-beta-Ethyl-17-alpha-ethinyl-17-hydroxy-gona-4,9,11-triene-3-one 320G040 BDBM50423515 CS-6362 Dimetrose (TN) Gestrinona HMS2089K16 NCGC00167457-02 SR-01000872705 (10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1,6,16-trien-5-one 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,9,11-trien-20-yn-3-one A 46745 CAS-16320-04-0 D0M5RF DSSTox_RID_76871 Gestrinone (USAN/INN) J-010018 R 2323 Tox21_112461_1 (17\|A)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-20-yn-3-one 1421533RCM 18,19-Dinorpregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)- AC1L1E0G CHEBI:89642 Dimetriose G0436 Gestrinonum MolPort-006-069-286 Ru-2323 ZINC3938633 13-Ethyl-17-alpha-ethinyl-17-hydroxygon-4,9,11-trien-3-one 40542-65-2 BRN 5610726 CTK8G0032 DSSTox_CID_3094 Gestrinona [INN-Spanish] HMS3715A15 Nemestran SR-01000872705-1 (17a)-13-ethyl-17-hydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one 13-Ethyl-17a-ethynyl-17b-hydroxygona-4,9,11-trien-3-one [ Show all ]
Inchi Key	BJJXHLWLUDYTGC-ANULTFPQSA-N
Inchi ID	InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
PubChem CID	27812
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB11619
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
548169	Gonadotropin-releasing hormone receptor	P30968	GNRHR	Homo sapiens (Human)	328

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