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]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 74.08
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
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
CHEMBL14021
CAS Number
79-09-4
UNII
JHU490RVYR
DrugBank ID
DB03766
TTD ID
D0S5BG
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Achaete-scute homolog 1 (ASCL1) OTI4X44G ASCL1_HUMAN Gene/Protein Processing [4]
Atlastin-1 (ATL1) OTR2788Y ATLA1_HUMAN Gene/Protein Processing [4]
Bcl-2-modifying factor (BMF) OT90NSLI BMF_HUMAN Gene/Protein Processing [4]
Beta-1,3-N-acetylglucosaminyltransferase lunatic fringe (LFNG) OTPSUBN2 LFNG_HUMAN Gene/Protein Processing [4]
BTB/POZ domain-containing protein KCTD15 (KCTD15) OTM6L4A0 KCD15_HUMAN Gene/Protein Processing [4]
Core histone macro-H2A.2 (MACROH2A2) OTAKSVYV H2AW_HUMAN Gene/Protein Processing [4]
Cysteine/serine-rich nuclear protein 1 (CSRNP1) OTDK1FPH CSRN1_HUMAN Gene/Protein Processing [4]
Embryonal Fyn-associated substrate (EFS) OT06O7XL EFS_HUMAN Gene/Protein Processing [4]
Failed axon connections homolog (FAXC) OTU0RGB0 FAXC_HUMAN Gene/Protein Processing [4]
General transcription factor II-I repeat domain-containing protein 2B (GTF2IRD2B) OTO0L3A2 GTD2B_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) 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 Propionic acid induces mitochondrial dysfunction and affects gene expression for mitochondria biogenesis and neuronal differentiation in SH-SY5Y cell line. Neurotoxicology. 2019 Dec;75:116-122. doi: 10.1016/j.neuro.2019.09.009. Epub 2019 Sep 14.