acompound

Showing entry for Lecanindole D

General Compound Information
BXGC Id	BXGC0040531
Compound Name	Lecanindole D
Structure
Formula	C23H31NO2
InchiKey	QJRNEHJGTLWRJJ-BVYMYZFFSA-N
SMILES	O[C@@H]1CC[C@]2([C@@](C1(C)C)(O)CC[C@@H]1[C@]2(C)c2[nH]c3c(c2C1)cccc3)C
Inchi	InChI=1S/C23H31NO2/c1-20(2)18(25)10-11-21(3)22(4)14(9-12-23(20,21)26)13-16-15-7-5-6-8-17(15)24-19(16)22/h5-8,14,18,24-26H,9-13H2,1-4H3/t14-,18+,21+,22+,23+/m0/s1
IUPAC
Molecular Weight	353.24
Pubchem Id	44605900
Chembl Id	CHEMBL1076438

Targets of Information Source

DrugBank

n.a

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

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

50312006

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	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	-	>10000	-	-
reviewed	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	-	>1000	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	-	-	>10000
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	>10000	-	-
reviewed	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	-	>3000	-	-
reviewed	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	-	-	-	1.1
reviewed	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	-	57.3	-	-
reviewed	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	-	5.5	-	-

CHEMBL

CHEMBL1076438

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
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Activity	'='	64	%
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Activity	'='	41	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	IC50	'>'	10000	nM
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	IC50	'='	5	nM
P08235	BXGT006751	Mineralocorticoid receptor	reviewed	Nuclear receptor	NR3C2	Activity	'='	82	%
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	EC50	-	-	-
P08235	BXGT006751	Mineralocorticoid receptor	reviewed	Nuclear receptor	NR3C2	IC50	'>'	3000000	nM
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	IC50	'>'	3000	nM
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	IC50	'='	57	nM
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	Ratio IC50	'='	10	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	EC50	-	-	-
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	Efficacy	'='	68	%
P08235	BXGT006751	Mineralocorticoid receptor	reviewed	Nuclear receptor	NR3C2	EC50	-	-	-
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	Ratio EC50	'='	10	-
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	IC50	'>'	10000	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	19	%
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	EC50	'='	1	nM
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	IC50	'>'	1000	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	EC50	-	-	-
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	35	%
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Activity	'='	58	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	EC50	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices

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}