Molecule

2-Propenoic acid; Amide

AlkaPlorer ID: AK311239

Synonym: Acrylamide, 2-Propenamide

IUPAC Name: prop-2-enamide

SMILES: C=CC(=N)O

InChI: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)

InChIKey: HRPVXLWXLXDGHG-UHFFFAOYSA-N

PubChem CID: 6579

CAS: 79-06-1

SuperNatural Ⅲ: SN0133556

NPASS: NPC32955

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Asparagus cochinchinensis	Asparagus	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 71.079

TPSA？: 44.08

MolLogP？: 0.70767

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus anthracis	Anthrax lethal factor	Potency	2511.9	nM	None
Equus caballus	Alcohol dehydrogenase	Ki	7762471.17	nM	10.1021/jm00155a005
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	25118.9	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	39810.7	nM	None
Homo sapiens	Estrogen receptor alpha	Potency	15848.9	nM	None
Homo sapiens	Fibroblast growth factor receptor 4	IC50	938.0	nM	10.1016/j.ejmech.2016.11.052
Homo sapiens	Glucocorticoid receptor	Potency	3162.3	nM	None
Homo sapiens	Glyceraldehyde-3-phosphate dehydrogenase liver	Ratio	0.053	/M/s	10.1016/j.ejmech.2020.112740
Homo sapiens	Glyceraldehyde-3-phosphate dehydrogenase liver	Ratio	0.053	/M/s	10.1021/jm500747h
Homo sapiens	Lymphoblastoid cell	Potency	63.1	nM	None
Homo sapiens	Lymphoblastoid cell	Potency	25118.9	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	74978.0	nM	None
Homo sapiens	Retinoid X receptor alpha	Potency	44668.4	nM	None
Homo sapiens	Thyroid stimulating hormone receptor	Potency	39810.7	nM	None
Rattus norvegicus	Dopamine transporter	IC50	437522105.16	nM	10.1021/acs.jmedchem.6b00788
None	No relevant target	LogP	-1.01	None	10.1021/jm00155a005