acompound

Showing entry for Norethynodrel

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019293
Compound Name	Norethynodrel
Structure
Formula	C20H26O2
InchiKey	ICTXHFFSOAJUMG-SLHNCBLASA-N
SMILES	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2
Inchi	InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1
IUPAC	(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Weight	298.19
Pubchem Id	6231
Chembl Id	CHEMBL1387

Targets of Information Source

DrugBank

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
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	approved	-
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	approved	-
P04278	BXGT006182	Sex hormone-binding globulin	reviewed	-	SHBG	approved	-

PDB

n.a

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

Binding DB

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	BXGT008096	Androgen receptor	reviewed		Ar	-	1548.82	-	-

CHEMBL

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
P22309	BXGT008753	UDP-glucuronosyltransferase 1-1	reviewed	-	UGT1A1	Activity	'='	0	pm/min/mg
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	39810	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	89125	nM
P15207	BXGT008096	Androgen receptor	reviewed	-	Ar	IC50	'='	1548	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	16360	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	39810	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	7176	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	124	%
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	1778	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	64	%
P06186	BXGT006419	Progesterone receptor	reviewed	-	PGR	log(RBA)	'='	1	-
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	log(RBA)	'='	1	-
Q28590	BXGT013952	Progesterone receptor	reviewed	-	PGR	log(RBA)	'='	0	-
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	11374	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01424	Atractylodes chinensis	Atractylodes chinensis	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}