acompound

Showing entry for Rhetsinine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016866
Compound Name	Rhetsinine
Structure
Formula	C19H17N3O2
InchiKey	RAEOYMOPVHBBKE-UHFFFAOYSA-N
SMILES	CNc1ccccc1C(=O)N1CCc2c(C1=O)[nH]c1c2cccc1
Inchi	InChI=1S/C19H17N3O2/c1-20-15-8-4-3-7-14(15)18(23)22-11-10-13-12-6-2-5-9-16(12)21-17(13)19(22)24/h2-9,20-21H,10-11H2,1H3
IUPAC	2-[2-(methylamino)benzoyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
Molecular Weight	319.13
Pubchem Id	99652
Chembl Id	CHEMBL508030

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

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	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	32000	-	-	-

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
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	31622	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	1000	nM
P29466	BXGT009349	Caspase-1	reviewed	Enzyme	CASP1	Potency	'='	15848	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Ki	'='	32000	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	19952	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	25118	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	14125	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	31622	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	102	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	98	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	20596	nM
P55210	BXGT011110	Caspase-7	reviewed	Enzyme	CASP7	Potency	'='	15848	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02357	Euodia bodinieri	Euodia bodinieri	Others
BXGF02978	Tetradium ruticarpum	Tetradium ruticarpum	Medicinal Plant
BXGF05356	Euodia officinalis	Euodia officinalis	Others
BXGF06002	Euodia ruticarpa	Euodia ruticarpa	Others

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}