Molecule

3-(1H-imidazol-1-yl)propanoic acid

AlkaPlorer ID: AK264881

Synonym: None

IUPAC Name: 3-imidazol-1-ylpropanoic acid

SMILES: O=C(O)CCN1C=CN=C1

InChI: InChI=1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)

InChIKey: VSFNAZLYGOOSEY-UHFFFAOYSA-N

PubChem CID: 175112624

CAS: 18999-45-6

LOTUS: LTS0018116

COCONUT: CNP0153546

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Coprinopsis atramentaria	Coprinopsis	Psathyrellaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Molecule Weight: 140.14200000000002

TPSA？: 55.12

MolLogP？: 0.3577999999999999

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Egl nine homolog 3	FC	1.0	None	10.1039/C3MD00117B
Homo sapiens	Egl nine homolog 3	IC50	25800.0	nM	10.1039/C3MD00117B
Homo sapiens	Egl nine homolog 3	Inhibition	nan	%	10.1039/C3MD00117B
Homo sapiens	Egl nine homolog 3	Kd	0.0544	nM	10.1039/C3MD00117B
Homo sapiens	Egl nine homolog 3	Kd	nan	None	10.1039/C3MD00117B
Homo sapiens	NCI-H446	Activity	nan	None	10.1039/C3MD00117B
Homo sapiens	NCI-H446	Survival	90.0	%	10.1039/C3MD00117B
Mus musculus	GABA transporter 1	Activity	72.0	%	10.1016/j.ejmech.2011.01.042
Mus musculus	GABA transporter 3	IC50	501187.23	nM	10.1016/j.ejmech.2011.01.042
Mus musculus	GABA transporter 4	IC50	25703.96	nM	10.1016/j.ejmech.2011.01.042
None	Unchecked	IC50	190546.07	nM	10.1016/j.ejmech.2011.01.042
None	Unchecked	MISS T/C	0.81	None	10.1021/jm000095f
None	Unchecked	Ratio pIC50	7.0	None	10.1016/j.ejmech.2011.01.042
None	Unchecked	Ratio pIC50	19.0	None	10.1016/j.ejmech.2011.01.042
None	Unchecked	Ratio pIC50	48.0	None	10.1016/j.ejmech.2011.01.042