PROPIONIC ACID


Synonyms	Antischim b E-280 E280 Ethanecarboxylic acid FEMA NO. 2924 INS NO.280 INS-280 Luprosil Metacetonic acid Propanoic acid Propionate Propionic acid
Status
Molecule Category	UNKNOWN
UNII	JHU490RVYR
EPA CompTox	DTXSID8025961


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	XBDQKXXYIPTUBI-UHFFFAOYSA-N
Smiles	CCC(=O)O
InChI	InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C3H6O2
Molecular Weight	74.08
AlogP	0.48
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	37.3
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	5.0

Assay Description	Organism	Bioactivity	Reference
Binding affinity to V5-His tagged FIBCD1 ecto-domain (54 to 461 residues) (unknown origin) assessed as reduction in binding between FIBCD1 and acetylated BSA at 50 mM by ELISA relative to control	Homo sapiens	50.0 %

Cross References

Resources	Reference
ChEBI	30768
ChEMBL	CHEMBL14021
DrugBank	DB03766
FDA SRS	JHU490RVYR
Human Metabolome Database	HMDB0000237
Guide to Pharmacology	1062
KEGG	C00163
PDB	PPI
PubChem	1032
SureChEMBL	SCHEMBL290
ZINC	ZINC000006050663

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).