ASD

4-ANDROSTENE-3-17-DIONE

Created:	2000-02-23
Last modified:	2024-09-27

Find Related PDB Entry
28 entries where ASD is found as a standalone ligand1 entries where ASD is covalently linked to polymer or other heterogen groups

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	5
Bond Count	50
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-ANDROSTENE-3-17-DIONE
Systematic Name (OpenEye OEToolkits)	(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Formula	C₁₉ H₂₆ O₂
Molecular Weight	286.409
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3CCC4C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C
SMILES	CACTVS	3.370	C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O
SMILES	OpenEye OEToolkits	1.7.0	CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
Canonical SMILES	CACTVS	3.370	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI	InChI	1.03	InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey	InChI	1.03	AEMFNILZOJDQLW-QAGGRKNESA-N

Drug Info: DrugBank

DrugBank ID	DB01536
Name	Androstenedione
Groups	illicit experimental
Description	A delta-4 C19 steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol.
Synonyms	4-Androstenedione Androst-4-ene-3,17-dione delta-4-Androstenedione Androstenedione 4-Androstene-3,17-dione
Categories	17-Ketosteroids Adrenal Cortex Hormones Androstanes Androstenes Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Ketosteroids Steroids Testosterone Congeners
CAS number	63-05-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Estradiol 17-beta-dehydrogenase 1	MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAA...	unknown	inducer
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1	MTGWSCLVTGAGGFLGQRIIRLLVKEKELKEIRVLDKAFGPELREEFSKL...	unknown	positive allosteric modulator
6-deoxyerythronolide B hydroxylase	MTTVPDLESDSFHVDWYRTYAELRETAPVTPVRFLGQDAWLVTGYDEAKA...	unknown	inducer
Aldo-keto reductase family 1 member C3	MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHID...	unknown	substrate,inducer
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Aldo-keto reductase family 1 member C3	MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHID...	unknown	substrate
View More

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682