acompound

Showing entry for Phenylephrine

General Compound Information
BXGC Id	BXGC0017443
Compound Name	Phenylephrine
Structure
Formula	C9H13NO2
InchiKey	SONNWYBIRXJNDC-VIFPVBQESA-N
SMILES	CNC[C@@H](c1cccc(c1)O)O
Inchi	InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
IUPAC	3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
Molecular Weight	167.09
Pubchem Id	6041
Chembl Id	CHEMBL1215

Targets of Information Source

DrugBank

DB00388

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
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	approved	agonist
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	approved	agonist
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	approved	agonist

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

50067212

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	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	450	-	-	-
reviewed	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	5000	-	-	-
reviewed	BXGT008160	Alpha-1B adrenergic receptor	reviewed		Adra1b	-	2000	-	-
reviewed	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	-	-	-	55
reviewed	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	-	-	-	5.9
reviewed	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	-	-	-	0.86
reviewed	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	-	-	-	56
reviewed	BXGT008818	Alpha-2A adrenergic receptor	reviewed		Adra2a	270	-	-	-
reviewed	BXGT006795	Beta-1 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB1	-	-	-	6000
reviewed	BXGT008818	Alpha-2A adrenergic receptor	reviewed		Adra2a	-	520	-	-
reviewed	BXGT006841	Alpha-2A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2A	390	-	-	-
reviewed	BXGT008818	Alpha-2A adrenergic receptor	reviewed		Adra2a	-	78	-	-

CHEMBL

CHEMBL1215

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
P22909	BXGT008818	Alpha-2A adrenergic receptor	reviewed	-	Adra2a	IC50	'='	520	nM
P19328	BXGT008473	Alpha-2B adrenergic receptor	reviewed	-	Adra2b	IC50	'='	520	nM
P22086	BXGT008728	Alpha-2C adrenergic receptor	reviewed	-	Adra2c	IC50	'='	520	nM
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Emax	'='	100	%
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	91999	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P13945	BXGT007972	Beta-3 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB3	EC50	'='	6000	nM
P07550	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	EC50	'='	6000	nM
P08588	BXGT006795	Beta-1 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB1	EC50	'='	6000	nM
P22909	BXGT008818	Alpha-2A adrenergic receptor	reviewed	-	Adra2a	Ki	'='	270	nM
P19328	BXGT008473	Alpha-2B adrenergic receptor	reviewed	-	Adra2b	Ki	'='	270	nM
P22086	BXGT008728	Alpha-2C adrenergic receptor	reviewed	-	Adra2c	Ki	'='	270	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
Q01337	BXGT012583	Alpha-2C adrenergic receptor	reviewed	-	Adra2c	pD2	'='	6	-
Q01338	BXGT012584	Alpha-2A adrenergic receptor	reviewed	-	Adra2a	pD2	'='	6	-
P30545	BXGT009438	Alpha-2B adrenergic receptor	reviewed	-	Adra2b	pD2	'='	6	-
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Ki	'='	977	nM
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	EC50	'='	2951	nM
P13945	BXGT007972	Beta-3 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB3	Ki	'='	13000	nM
P08588	BXGT006795	Beta-1 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB1	Ki	'='	13000	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	1122	nM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Potency	'='	3548	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Potency	-	5623	nM
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	EC50	'='	1659	nM
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	Selectivity	'='	0	-
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Selectivity	'='	0	-
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Potency	'='	251	nM
P18089	BXGT008379	Alpha-2B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2B	Ki	'='	390	nM
P18825	BXGT008426	Alpha-2C adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2C	Ki	'='	390	nM
P08913	BXGT006841	Alpha-2A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2A	Ki	'='	390	nM
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	EC50	'='	55	nM
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Control response	'='	7	%
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Control response	'='	14	%
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	EC50	'='	0	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Ki	'='	162	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	EC50	'='	154	nM
P18130	BXGT008382	Alpha-1A adrenergic receptor	reviewed	-	ADRA1A	Emax	'='	110	%
P18825	BXGT008426	Alpha-2C adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2C	Emax	'='	87	%
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	EC50	'='	55	nM
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Control response	'='	6	%
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	Emax	'='	100	%
P22909	BXGT008818	Alpha-2A adrenergic receptor	reviewed	-	Adra2a	IC50	'='	78	nM
P19328	BXGT008473	Alpha-2B adrenergic receptor	reviewed	-	Adra2b	IC50	'='	78	nM
P22086	BXGT008728	Alpha-2C adrenergic receptor	reviewed	-	Adra2c	IC50	'='	78	nM
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Emax	'='	100	%
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	Selectivity	'='	1	-
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Selectivity	'='	1	-
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	IC50	'='	2000	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	IC50	'='	2000	nM
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	IC50	'='	2000	nM
P18130	BXGT008382	Alpha-1A adrenergic receptor	reviewed	-	ADRA1A	Ki	'='	933	nM
P18841	BXGT008428	Alpha-1B adrenergic receptor	reviewed	-	ADRA1B	Ki	'='	1258	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	19952	nM
Q01337	BXGT012583	Alpha-2C adrenergic receptor	reviewed	-	Adra2c	IC40	'='	78	nM
Q01338	BXGT012584	Alpha-2A adrenergic receptor	reviewed	-	Adra2a	IC40	'='	78	nM
P30545	BXGT009438	Alpha-2B adrenergic receptor	reviewed	-	Adra2b	IC40	'='	78	nM
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	EC50	'='	10964	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Emax	'='	100	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'>'	200	ug.mL-1
P22909	BXGT008818	Alpha-2A adrenergic receptor	reviewed	-	Adra2a	Ki	'='	390	nM
P19328	BXGT008473	Alpha-2B adrenergic receptor	reviewed	-	Adra2b	Ki	'='	390	nM
P22086	BXGT008728	Alpha-2C adrenergic receptor	reviewed	-	Adra2c	Ki	'='	390	nM
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	pD2	'='	6	-
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	pD2	'='	6	-
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	pD2	'='	6	-
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Control response	'='	9	%
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Control response	'='	35	%
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Control response	'='	4	%
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Ki	'='	6100	nM
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Ki	'='	6100	nM
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	Ki	'='	6100	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Potency	-	1835	nM
P08913	BXGT006841	Alpha-2A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2A	EC50	'='	306	nM
P18090	BXGT008380	Beta-1 adrenergic receptor	reviewed	-	Adrb1	Ki	'='	13000	nM
G3HDX1	BXGT003474	Alpha-1B adrenergic receptor	unreviewed	-	I79_008739	Emax	'='	110	%
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	EC50	'='	5	nM
G3HDX1	BXGT003474	Alpha-1B adrenergic receptor	unreviewed	-	I79_008739	EC50	'='	10	nM
P18825	BXGT008426	Alpha-2C adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2C	EC50	'='	340	nM
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	pD2	'='	6	-
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	pD2	'='	6	-
P15823	BXGT008160	Alpha-1B adrenergic receptor	reviewed	-	Adra1b	pD2	'='	6	-
P18130	BXGT008382	Alpha-1A adrenergic receptor	reviewed	-	ADRA1A	EC50	'='	9	nM
P08913	BXGT006841	Alpha-2A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2A	Emax	'='	94	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00855	Nerium oleander	Nerium oleander	Medicinal Plant
BXGF03363	Hypericum japonicum	Hypericum japonicum	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}