acompound

Showing entry for Amphetamine

General Compound Information
BXGC Id	BXGC0014068
Compound Name	Amphetamine
Structure
Formula	C9H13N
InchiKey	KWTSXDURSIMDCE-UHFFFAOYSA-N
SMILES	CC(Cc1ccccc1)N
Inchi	InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
IUPAC	1-phenylpropan-2-amine
Molecular Weight	135.1
Pubchem Id	3007
Chembl Id	CHEMBL405

Targets of Information Source

DrugBank

DB00182

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
Q05940	BXGT012846	Synaptic vesicular amine transporter	reviewed	Transporter	SLC18A2	approved; illicit; investigational	inhibitor
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	approved; illicit; investigational	negative modulator
Q16568	BXGT013640	Cocaine- and amphetamine-regulated transcript protein	reviewed	-	CARTPT	approved; illicit; investigational	agonist
Q96RJ0	BXGT019728	Trace amine-associated receptor 1	reviewed	G-protein coupled receptor	TAAR1	approved; illicit; investigational	agonist
P23975	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	approved; illicit; investigational	stimulator
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	approved; illicit; investigational	-
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	approved; illicit; investigational	-
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	approved; illicit; investigational	-
P08913	BXGT006841	Alpha-2A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2A	approved; illicit; investigational	-
P18089	BXGT008379	Alpha-2B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2B	approved; illicit; investigational	-
P18825	BXGT008426	Alpha-2C adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2C	approved; illicit; investigational	agonist
P08588	BXGT006795	Beta-1 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB1	approved; illicit; investigational	-
P07550	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	approved; illicit; investigational	-
P13945	BXGT007972	Beta-3 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB3	approved; illicit; investigational	agonist
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	approved; illicit; investigational	binder
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	approved; illicit; investigational	inhibitor
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	approved; illicit; investigational	binder
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	approved; illicit; investigational	-
Q99870	BXGT019971	Vesicle monoamine transporter type 2 (Fragment)	unreviewed	-	VMAT2	approved; illicit; investigational	-

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

50005246

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	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	>10000	-	-	-
reviewed	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	1600	-	-	-
reviewed	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	10000	-	-	-
reviewed	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	2200	-	-	-
reviewed	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	12000	-	-	-
reviewed	BXGT009565	Sodium-dependent serotonin transporter	reviewed		Slc6a4	1000	-	-	-
reviewed	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	400	-	-	-
reviewed	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	2900	-	-	-
reviewed	BXGT008728	Alpha-2C adrenergic receptor	reviewed		Adra2c	992	-	-	-
reviewed	BXGT008728	Alpha-2C adrenergic receptor	reviewed		Adra2c	2409	-	-	-
reviewed	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed		Sigmar1	>10000	-	-	-
reviewed	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	116	-	-	-
reviewed	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	190	-	-	-
reviewed	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	>10000	-	-	-
reviewed	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	6606	-	-	-
reviewed	BXGT008059	5-hydroxytryptamine receptor 2A	reviewed		Htr2a	>10000	-	-	-
reviewed	BXGT006838	5-hydroxytryptamine receptor 2C	reviewed		Htr2c	>10000	-	-	-
reviewed	BXGT008938	5-hydroxytryptamine receptor 3A	reviewed		Htr3a	>10000	-	-	-
reviewed	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	>10000	-	-	-
reviewed	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	>10000	-	-	-
reviewed	BXGT009835	D(3) dopamine receptor	reviewed	G-protein coupled receptor	DRD3	>10000	-	-	-
reviewed	BXGT009565	Sodium-dependent serotonin transporter	reviewed		Slc6a4	3830	-	-	-
reviewed	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	34	-	-	-
reviewed	BXGT009565	Sodium-dependent serotonin transporter	reviewed		Slc6a4	>10000	-	-	-
reviewed	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	1000	-	-	-
reviewed	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	24.8	-	-	-
reviewed	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	7.1	-	-	-
reviewed	BXGT007632	Phenylethanolamine N-methyltransferase	reviewed		PNMT	740000	-	-	-
reviewed	BXGT004748	Sodium-dependent noradrenaline transporter	reviewed		Slc6a2	-	1000	-	-
reviewed	BXGT016003	Sodium-dependent serotonin transporter	reviewed		Slc6a4	-	45000	-	-
reviewed	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	-	960	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	3500	-	-
reviewed	BXGT008059	5-hydroxytryptamine receptor 2A	reviewed		Htr2a	43000	-	-	-
reviewed	BXGT008472	5-hydroxytryptamine receptor 1A	reviewed		Htr1a	7660	-	-	-
reviewed	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed		Sigmar1	>50000	-	-	-
reviewed	BXGT008610	Cytochrome P450 2A5	reviewed		Cyp2a5	-	2850	-	-
reviewed	BXGT008643	Amine oxidase [flavin-containing] A	reviewed		Maoa	12200	-	-	-
reviewed	BXGT009493	5-hydroxytryptamine receptor 2B	reviewed		Htr2b	-	-	5370.32	-

CHEMBL

CHEMBL405

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
P20852	BXGT008610	Cytochrome P450 2A5	reviewed	-	Cyp2a5	IC50	'='	2850	nM
Q9R0C9	BXGT021402	Sigma non-opioid intracellular receptor 1	reviewed	-	Sigmar1	Ki	'>'	50000	nM
O76082	BXGT005175	Solute carrier family 22 member 5	reviewed	Transporter	SLC22A5	Activity	-	-	-
P14842	BXGT008059	5-hydroxytryptamine receptor 2A	reviewed	-	Htr2a	Ki	'='	43000	nM
P08909	BXGT006838	5-hydroxytryptamine receptor 2C	reviewed	-	Htr2c	Ki	'='	43000	nM
P30994	BXGT009493	5-hydroxytryptamine receptor 2B	reviewed	-	Htr2b	Ki	'='	43000	nM
P28565	BXGT009273	5-hydroxytryptamine receptor 1D	reviewed	-	Htr1d	Ki	'='	7660	nM
P19327	BXGT008472	5-hydroxytryptamine receptor 1A	reviewed	-	Htr1a	Ki	'='	7660	nM
P30940	BXGT009484	5-hydroxytryptamine receptor 1F	reviewed	-	Htr1f	Ki	'='	7660	nM
P28564	BXGT009272	5-hydroxytryptamine receptor 1B	reviewed	-	Htr1b	Ki	'='	7660	nM
P41595	BXGT010267	5-hydroxytryptamine receptor 2B	reviewed	G-protein coupled receptor	HTR2B	Affinity	-	-	-
P28565	BXGT009273	5-hydroxytryptamine receptor 1D	reviewed	-	Htr1d	Kd	'='	5370	nM
P19327	BXGT008472	5-hydroxytryptamine receptor 1A	reviewed	-	Htr1a	Kd	'='	5370	nM
P35364	BXGT009819	5-hydroxytryptamine receptor 5A	reviewed	-	Htr5a	Kd	'='	5370	nM
P30940	BXGT009484	5-hydroxytryptamine receptor 1F	reviewed	-	Htr1f	Kd	'='	5370	nM
P14842	BXGT008059	5-hydroxytryptamine receptor 2A	reviewed	-	Htr2a	Kd	'='	5370	nM
P08909	BXGT006838	5-hydroxytryptamine receptor 2C	reviewed	-	Htr2c	Kd	'='	5370	nM
Q62758	BXGT016041	5-hydroxytryptamine receptor 4	reviewed	-	Htr4	Kd	'='	5370	nM
P30994	BXGT009493	5-hydroxytryptamine receptor 2B	reviewed	-	Htr2b	Kd	'='	5370	nM
P28564	BXGT009272	5-hydroxytryptamine receptor 1B	reviewed	-	Htr1b	Kd	'='	5370	nM
Q9JJ16	BXGT020824	5-hydroxytryptamine receptor 3B	reviewed	-	Htr3b	Kd	'='	5370	nM
P31388	BXGT009532	5-hydroxytryptamine receptor 6	reviewed	-	Htr6	Kd	'='	5370	nM
P32305	BXGT009621	5-hydroxytryptamine receptor 7	reviewed	-	Htr7	Kd	'='	5370	nM
P35365	BXGT009820	5-hydroxytryptamine receptor 5B	reviewed	-	Htr5b	Kd	'='	5370	nM
P35563	BXGT009849	5-hydroxytryptamine receptor 3A	reviewed	-	Htr3a	Kd	'='	5370	nM
P10938	BXGT007632	Phenylethanolamine N-methyltransferase	reviewed	-	PNMT	Ki	'='	740000	nM
P14842	BXGT008059	5-hydroxytryptamine receptor 2A	reviewed	-	Htr2a	Ki	'>'	10000	nM
O88446	BXGT005272	Solute carrier family 22 member 3	reviewed	-	Slc22a3	IC50	'='	42000	nM
P08909	BXGT006838	5-hydroxytryptamine receptor 2C	reviewed	-	Htr2c	Ki	'>'	10000	nM
P14842	BXGT008059	5-hydroxytryptamine receptor 2A	reviewed	-	Htr2a	Ki	'>'	10000	nM
P08909	BXGT006838	5-hydroxytryptamine receptor 2C	reviewed	-	Htr2c	Ki	'>'	10000	nM
P30994	BXGT009493	5-hydroxytryptamine receptor 2B	reviewed	-	Htr2b	Ki	'>'	10000	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	3500	nM
P30994	BXGT009493	5-hydroxytryptamine receptor 2B	reviewed	-	Htr2b	Kd	'='	5370	nM
Q60857	BXGT016003	Sodium-dependent serotonin transporter	reviewed	-	Slc6a4	IC50	'='	45000	nM
O70594	BXGT005072	Solute carrier family 22 member 5	reviewed	-	Slc22a5	Inhibition	-	-	-
P23977	BXGT008936	Sodium-dependent dopamine transporter	reviewed	-	Slc6a3	IC50	'='	960	nM
O55192	BXGT004748	Sodium-dependent noradrenaline transporter	reviewed	-	Slc6a2	IC50	'='	1000	nM
Q63380	BXGT016069	Transporter	unreviewed	-	NET	IC50	'='	200	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}