Details of the Drug

General Information of Drug (ID: DMTAJP7)

Drug Name
Butanoic Acid
Synonyms
butyric acid; butanoic acid; n-Butyric acid; 107-92-6; n-Butanoic acid; propylformic acid; ethylacetic acid; 1-propanecarboxylic acid; Butanic acid; butyrate; 1-Butyric acid; Buttersaeure; butanoate; Kyselina maselna; Butyric acid (natural); Propanecarboxylic acid; Buttersaeure [German]; 1-butanoic acid; FEMA Number 2221; Kyselina maselna [Czech]; FEMA No. 2221; CCRIS 6552; HSDB 940; butoic acid; Ethyacetic Acid; 2-butanoate; NSC 8415; UNII-40UIR9Q29H; UN2820; AI3-15306; EINECS 203-532-3; BRN 0906770; CH3-[CH2]2-COOH; 40UIR9Q29H
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) 88.11
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H8O2
IUPAC Name
butanoic acid
Canonical SMILES
CCCC(=O)O
InChI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
FERIUCNNQQJTOY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
264
ChEBI ID
CHEBI:30772
CAS Number
107-92-6
DrugBank ID
DB03568
TTD ID
D0T4JQ
VARIDT ID
DR01475

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [2]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Monocarboxylate transporter 1 (SLC16A1) DT342ZG MOT1_HUMAN Substrate [3]
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
26S proteasome non-ATPase regulatory subunit 4 (PSMD4) OTH1VZTM PSMD4_HUMAN Gene/Protein Processing [5]
26S proteasome regulatory subunit 7 (PSMC2) OTJ4V337 PRS7_HUMAN Gene/Protein Processing [5]
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) OT7RJON4 HCD2_HUMAN Gene/Protein Processing [5]
5-aminolevulinate synthase, erythroid-specific, mitochondrial (ALAS2) OTJXOUCL HEM0_HUMAN Gene/Protein Processing [5]
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) OTZ092ZJ THIC_HUMAN Gene/Protein Processing [5]
Actin-related protein 3 (ACTR3) OT05LJSH ARP3_HUMAN Gene/Protein Processing [5]
Albumin (ALB) OTVMM513 ALBU_HUMAN Gene/Protein Processing [6]
Aldehyde dehydrogenase 1A1 (ALDH1A1) OTCUWZKB AL1A1_HUMAN Gene/Protein Processing [7]
Aldo-keto reductase family 1 member C3 (AKR1C3) OTU2SXBA AK1C3_HUMAN Gene/Protein Processing [7]
Alpha-centractin (ACTR1A) OT1QAU16 ACTZ_HUMAN Gene/Protein Processing [5]
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: 1059).
2 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3 Overview of the proton-coupled MCT (SLC16A) family of transporters: characterization, function and role in the transport of the drug of abuse gamma-hydroxybutyric acid. AAPS J. 2008 Jun;10(2):311-21.
4 The short-chain fatty acid butyrate is a substrate of breast cancer resistance protein. Am J Physiol Cell Physiol. 2011 Nov;301(5):C984-94.
5 MS4A3-HSP27 target pathway reveals potential for haematopoietic disorder treatment in alimentary toxic aleukia. Cell Biol Toxicol. 2023 Feb;39(1):201-216. doi: 10.1007/s10565-021-09639-4. Epub 2021 Sep 28.
6 Histone deacetylase inhibitor valproic acid promotes the differentiation of human induced pluripotent stem cells into hepatocyte-like cells. PLoS One. 2014 Aug 1;9(8):e104010.
7 Butyrate interacts with benzo[a]pyrene to alter expression and activities of xenobiotic metabolizing enzymes involved in metabolism of carcinogens within colon epithelial cell models. Toxicology. 2019 Jan 15;412:1-11.