Details of the Drug

General Information of Drug (ID: DM9TN2W)

Drug Name

Propanoic Acid

Synonyms

propionic acid; Propanoic acid; 1979/9/4; ethylformic acid; methylacetic acid; Carboxyethane; Ethanecarboxylic acid; Pseudoacetic acid; Metacetonic acid; Monoprop; Luprosil; Prozoin; Propionoic acid; Acide propionique; Methyl acetic acid; Antischim B; Sentry grain preserver; C3 acid; Tenox P grain preservative; Caswell No. 707; Propionic acid grain preserver; Propionsaeure; Propcorn; Propkorn; propoic acid; Propioic acid; acide propanoique; Propionic acid (natural); Kyselina propionova; Carboxylic acids, C1-5; Acide propioniqu

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

74.08

Topological Polar Surface Area (xlogp)

0.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Elimination: Three days after a single oral administration of labeled sodium propionate, 77% of the radioactivity was found in expired air, and 7% in urine and feces [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 6.9 +/- 0.4 minutes [2]

Chemical Identifiers

Formula: C3H6O2
IUPAC Name: propanoic acid
Canonical SMILES: CCC(=O)O
InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1032
ChEBI ID: CHEBI:30768
CAS Number: 79-09-4
DrugBank ID: DB03766
TTD ID: D0S5BG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Biosynthetic alanine racemase (MycB alr)	TT6TMZU	ALR_MYCSM	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1062).
2	PubChem Propionic Acid Profile
3	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4	Molecular dynamics studies of alanine racemase: a structural model for drug design. Biopolymers. 2003 Oct;70(2):186-200.
5	Mechanism-based inactivation of alanine racemase by 3-halovinylglycines. J Biol Chem. 1991 Nov 15;266(32):21657-65.