Histamine

Representations & DB's id
ChEBI:	CHEBI:18295
ChEMBL:	CHEMBL90
PubChem:	774
IUPAC:	2-(1H-imidazol-5-yl)ethanamine
Standard InChI:	InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
Standard InChI Key:	NTYJJOPFIAHURM-UHFFFAOYSA-N
SMILES:	NCCc1cnc[nH]1

Molecular propeties
AlogP:	-0.09
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	2
Number of rings:	1
Molecular Weight:	111.08
Topological polar surface area:	54.7
Number of aromatic rings:	1
Fsp3:	0.4
Number of carbons:	5

Plant sources

Part of plant	Plant name	Ref.
Leaf	Urtica dioica
Plant	Urtica dioica
Plant	Prunus dulcis
Plant	Oenanthe phellandrium
Herba	Chelidonium majus
Herba	Chelidonium majus

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
EC50	13 nM	Histamine H1 receptor	P35367
EC50	463 nM	Histamine H2 receptor	P25021
EC50	77 nM	Histamine H3 receptor	Q9Y5N1
EC50	75 nM	Histamine H4 receptor	Q9H3N8
Ki	14.45 nM	Histamine H4 receptor	Q9H3N8
Ki	7.943 nM	Histamine H4 receptor	Q9H3N8
EC50	650 nM	Histamine H2 receptor	P25021
EC50	45 nM	Histamine H1 receptor	P35367
EC50	88 nM	Histamine H3 receptor	Q9Y5N1
EC50	1800 nM	Histamine H4 receptor	Q9H3N8
Ki	12.02 nM	Histamine H4 receptor	Q9H3N8
Ki	13.4 nM	Histamine H4 receptor	Q9H3N8
Others	4.1 %	Solute carrier family 22 member 1	O15245
EC50	190 nM	Histamine H1 receptor	P35367
EC50	1200 nM	Histamine H2 receptor	P25021
EC50	25.1 nM	Histamine H3 receptor	Q9Y5N1
EC50	11.6 nM	Histamine H4 receptor	Q9H3N8
EC50	190.55 nM	Histamine H1 receptor	P35367
EC50	1202.26 nM	Histamine H2 receptor	P25021
EC50	25.12 nM	Histamine H3 receptor	Q9Y5N1
EC50	12.02 nM	Histamine H4 receptor	Q9H3N8
EC50	11.75 nM	Histamine H4 receptor	Q9H3N8
EC50	13.8 nM	Histamine H4 receptor	Q9H3N8
Ki	12.02 nM	Histamine H4 receptor	Q9H3N8
EC50	190.55 nM	Histamine H1 receptor	P35367
EC50	1202.26 nM	Histamine H2 receptor	P25021
EC50	25.12 nM	Histamine H3 receptor	Q9Y5N1
EC50	12.02 nM	Histamine H4 receptor	Q9H3N8
EC50	1258.93 nM	Histamine H2 receptor	P25021
EC50	190.55 nM	Histamine H1 receptor	P35367
EC50	12.88 nM	Histamine H3 receptor	Q9Y5N1
EC50	9.12 nM	Histamine H4 receptor	Q9H3N8
Others	110 %	Histamine H3 receptor	Q9Y5N1
EC50	640 nM	Histamine H3 receptor	Q9Y5N1
Ki	5.2 nM	Histamine H3 receptor	Q9Y5N1
Ki	60 nM	Histamine H4 receptor	Q9H3N8
Ki	79432.82 nM	Histamine H1 receptor	P35367
Potency	891.3 nM	Prelamin-A/C	P02545
Potency	31622.8 nM	Thyroid stimulating hormone receptor	P16473
Potency	31622.8 nM	Thyroid stimulating hormone receptor	P16473
EC50	199.53 nM	Histamine H1 receptor	P35367
Ki	7.943 nM	Histamine H4 receptor	Q9H3N8
EC50	12.59 nM	Histamine H4 receptor	Q9H3N8
Ki	10 nM	Histamine H3 receptor	Q9Y5N1
EC50	5.012 nM	Histamine H3 receptor	Q9Y5N1
EC50	19.95 nM	Histamine H4 receptor	Q9H3N8
Ki	12.59 nM	Histamine H4 receptor	Q9H3N8
EC50	79.43 nM	Histamine H4 receptor	Q9H3N8
Ki	50118.72 nM	Histamine H2 receptor	P25021
Ki	11.75 nM	Histamine H3 receptor	Q9Y5N1
Ki	12.02 nM	Histamine H4 receptor	Q9H3N8
EC50	25.12 nM	Histamine H4 receptor	Q9H3N8
EC50	15.85 nM	Histamine H3 receptor	Q9Y5N1
Potency	8436.8 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	79432.8 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Ki	6.31 nM	Histamine H3 receptor	Q9Y5N1
Ki	15.85 nM	Histamine H4 receptor	Q9H3N8
Ki	9 nM	Histamine H4 receptor	Q9H3N8
Ki	19.95 nM	Histamine H4 receptor	Q9H3N8
EC50	12.88 nM	Histamine H3 receptor	Q9Y5N1
EC50	12.02 nM	Histamine H4 receptor	Q9H3N8
EC50	25.12 nM	Histamine H3 receptor	Q9Y5N1
EC50	1202.26 nM	Histamine H2 receptor	P25021
EC50	190.55 nM	Histamine H1 receptor	P35367
EC50	20.42 nM	Histamine H4 receptor	Q9H3N8
EC50	1202.26 nM	Histamine H2 receptor	P25021
Others	-30.5 nanoampere	Equilibrative nucleoside transporter 4	Q7RTT9
Others	-110 nanoampere	Equilibrative nucleoside transporter 4	Q7RTT9
Others	2	Equilibrative nucleoside transporter 4	Q7RTT9
Ki	4.8 nM	Histamine H4 receptor	Q9H3N8
Ki	5000 nM	Histamine H2 receptor	P25021
Ki	6000 nM	Histamine H1 receptor	P35367
Ki	8 nM	Histamine H4 receptor	Q9H3N8
Ki	16 nM	Histamine H3 receptor	Q9Y5N1
Ki	15.85 nM	Histamine H4 receptor	Q9H3N8
EC50	7.943 nM	Histamine H4 receptor	Q9H3N8
EC50	13 nM	Histamine H3 receptor	Q9Y5N1
EC50	11 nM	Histamine H4 receptor	Q9H3N8
EC50	190 nM	Histamine H1 receptor	P35367
EC50	13 nM	Histamine H4 receptor	Q9H3N8

Histamine

Representations & DB's id

Molecular propeties

Plant sources

In vitro data