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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 88.11
  Topological Polar Surface Area (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]

References

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• [2] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
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• [23] Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation. J Med Chem. 2008 Apr 10;51(7):2027-36.
• [24] Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. J Med Chem. 2006 Apr 6;49(7):2174-85.
• [25] Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. Bioorg Med Chem. 2010 Jul 1;18(13):4687-93.
• [26] Acetylcholinesterase-Fc Fusion Protein (AChE-Fc): A Novel Potential Organophosphate Bioscavenger with Extended Plasma Half-Life. Bioconjug Chem. 2015 Aug 19;26(8):1753-8.
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