acompound

Showing entry for 4-Ethyl-3-Methyl-N-[2-[4-[(4-Methylcyclohexyl)Carbamoylsulfamoyl]Phenyl]Ethyl]-5-Oxo-2H-Pyrrole-1-Carboxamide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025530
Compound Name	4-Ethyl-3-Methyl-N-[2-[4-[(4-Methylcyclohexyl)Carbamoylsulfamoyl]Phenyl]Ethyl]-5-Oxo-2H-Pyrrole-1-Carboxamide
Structure
Formula	C24H34N4O5S
InchiKey	WIGIZIANZCJQQY-UHFFFAOYSA-N
SMILES	CCC1=C(C)CN(C1=O)C(=NCCc1ccc(cc1)S(=O)(=O)NC(=NC1CCC(CC1)C)O)O
Inchi	InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)
IUPAC	4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide
Molecular Weight	490.22
Pubchem Id	3476
Chembl Id	CHEMBL149223

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

n.a

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

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
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	17740	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	'='	316	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	316	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Potency	'='	7943	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	IC50	-	-	-
P25094	BXGT009014	Peripheral myelin protein 22	reviewed	-	Pmp22	Potency	-	32196	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Potency	-	12589	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	199	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00027	Chinese mustard	Brassica juncea	Vegetables
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01580	Changium smyrnioides	Changium smyrnioides	Medicinal Plant
BXGF03611	Viscum coloratum	Viscum coloratum	Medicinal Plant
BXGF04283	Terminalia chebula	Terminalia chebula	Medicinal Plant
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05911	Viscum album	Viscum album	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}