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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	GESTODENE
Molecular formula	C21H26O2
IUPAC name	(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
Molecular weight	310.437
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.9
Synonyms	CC-28967 DSSTox_CID_26478 Gestoden Gestodenum Pregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)- SHB-331 (1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-6,12-dien-5-one 1664P6E6MI 60282-87-3 AK161682 CHEMBL1213583 DTXSID6046478 Gestodene [USAN:INN:BAN] HY-B0110 SC-27288 ST24047328 (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one 17alpha -Ethynyl-17beta-hydroxy-18-methyl-4,15-estradien-3-one AB01274782_02 BCP22665 G0404 Gestodeno NCGC00164611-01 SH B 3331 UNII-1664P6E6MI 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,15-dien-20-yn-3-one 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)- AC1MHWNV C-19235 CCRIS 9189 DSSTox_GSID_46478 Gestodenum [INN-Latin] Q-101426 SHT-546 (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one 17-alpha-ethinyl-13-ethyl-17 beta-hydroxy-4,15-gonadien-3-one A832668 AKOS024462671 CS-1862 EINECS 262-145-8 Gestodene, >=98% (HPLC) LS-62068 SCHEMBL37271 Tox21_112232 110541-55-4 17alpha-ethynyl-17beta-hydroxy-18-methyl-4,15-estradien-3-one AB2000072 BRD-K97197005-001-03-2 DB06730 Gestinol Gestodeno [INN-Spanish] NCGC00263565-01 SH-546 ZINC238809420 13beta-Ethyl-17beta-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one 282G873 AJ-45699 CAS-60282-87-3 CHEBI:135323 DSSTox_RID_81649 Gestodene (USAN/INN) HSDB 3594 s1376 SIGSPDASOTUPFS-XUDSTZEESA-N (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one 17-alpha-Ethinyl-13-ethyl-17-beta-hydroxy-4,15-gonadien-3-one AB01274782-01 AS-13029 D04316 FT-0082507 Gestodene, European Pharmacopoeia (EP) Reference Standard MolPort-005-938-422 SH B 331 Tox21_112232_1 13-ethyl-17-hydroxy-18,19-dinor-17 alpha-pregna-4,15-dien-20-yn-3-one 17alpha-ethynyl-17beta-hydroxy-18-methyl-estra-4,15-dien-3-one AC-20038 BRN 4237181 [ Show all ]
Inchi Key	SIGSPDASOTUPFS-XUDSTZEESA-N
Inchi ID	InChI=1S/C21H26O2/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/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
PubChem CID	3033968
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB06730
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
551813	Adhesion G-protein coupled receptor D1	Q6QNK2	ADGRD1	Homo sapiens (Human)	874

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