Imidazoleacetic acid

Representations & DB's id
ChEBI:	CHEBI:16974
ChEMBL:	CHEMBL784
PubChem:	96215
IUPAC:	2-(1H-imidazol-5-yl)acetic acid
Standard InChI:	InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
Standard InChI Key:	PRJKNHOMHKJCEJ-UHFFFAOYSA-N
SMILES:	OC(=O)Cc1cnc[nH]1

Molecular propeties
AlogP:	0.04
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	2
Number of rings:	1
Molecular Weight:	126.04
Topological polar surface area:	66
Number of aromatic rings:	1
Fsp3:	0.2
Number of carbons:	5

Plant sources

Part of plant	Plant name	Ref.
Plant	Prunus dulcis
Plant	Oenanthe phellandrium

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
EC50	16000 nM	GABA receptor rho-1 subunit	P24046
EC50	3000 nM	GABA receptor rho-2 subunit	P28476
Others	1700 nM	GABA receptor rho-1 subunit	P24046
Potency	398.1 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	39810.7 nM	Thyroid stimulating hormone receptor	P16473
Potency	31622.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	398.1 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	39810.7 nM	Thyroid stimulating hormone receptor	P16473
Potency	31622.8 nM	Cytochrome P450 3A4	P08684
Potency	31622.8 nM	Cytochrome P450 3A4	P08684
Potency	9466.2 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	35481.3 nM	Chromobox protein homolog 1	P83916