acompound

Showing entry for Androstenedone

General Compound Information
BXGC Id	BXGC0047404
Compound Name	Androstenedone
Structure
Formula	C19H24O2
InchiKey	LUJVUUWNAPIQQI-QAGGRKNESA-N
SMILES	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Inchi	InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
IUPAC	(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Molecular Weight	284.18
Pubchem Id	13472
Chembl Id	CHEMBL1078534

Targets of Information Source

DrugBank

DB07373

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
P71278	BXGT011690	Pentaerythritol tetranitrate reductase	unreviewed	-	onr	experimental	-

PDB

ANB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
P71278	BXGT011690	Pentaerythritol tetranitrate reductase	unreviewed	onr	-	-	-	17000	-
Q9RA02	BXGT021434	3-ketosteroid dehydrogenase	unreviewed	kstD1	-	-	-	-	-

Binding DB

91718

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	-	102660	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	120	-	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	260	-	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	320	-	-	-

CHEMBL

CHEMBL1078534

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Ki	'='	260	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Ki	'='	120	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	128	%
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	300	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Ki	'='	320	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Km	'='	20	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Ki	'='	43	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	K inact	'='	0	min-1
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Km	'='	760	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	530	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Ki	'='	952	nM
O35627	BXGT004535	Nuclear receptor subfamily 1 group I member 3	reviewed	-	Nr1i3	Remaining activity	'='	89	%
P56937	BXGT011205	3-keto-steroid reductase	reviewed	-	HSD17B7	Inhibition	'='	21	%
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	10000	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	56234	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	16360	nM
P56937	BXGT011205	3-keto-steroid reductase	reviewed	-	HSD17B7	Inhibition	-	-	-
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	103	%
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	125892	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01654	Plumbago zeylanica	Plumbago zeylanica	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}