Details of the Drug

General Information of Drug (ID: DMLN2GQ)

Drug Name
Oxalic Acid
Synonyms
ethanedioic acid; 144-62-7; Aktisal; Aquisal; Oxiric acid; Oxalsaeure; Oxaalzuur; Kyselina stavelova; Acide oxalique; Acido ossalico; Acidum oxalicum; Caswell No. 625; Oxaalzuur [Dutch]; Oxalsaeure [German]; NCI-C55209; Ethanedionic acid; Acide oxalique [French]; Acido ossalico [Italian]; Kyselina stavelova [Czech]; CCRIS 1454; EPA Pesticide Chemical Code 009601; Ethane-1,2-dioic acid; HSDB 1100; AI3-26463; NSC 62774; UNII-9E7R5L6H31; BRN 0385686; HOOCCOOH; Oxalic acid anhydrous; C2H2O4; EINECS 205-634-3; CHEBI:16995
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) 90.03
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C2H2O4
IUPAC Name
oxalic acid
Canonical SMILES
C(=O)(C(=O)O)O
InChI
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
InChIKey
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
971
ChEBI ID
CHEBI:16995
CAS Number
144-62-7
DrugBank ID
DB03902
TTD ID
D0U7BY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proto-oncogene c-Src (SRC) TT6PKBN SRC_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Gene/Protein Processing [2]
Apoptosis regulator Bcl-2 (BCL2) OT9DVHC0 BCL2_HUMAN Gene/Protein Processing [2]
C-C motif chemokine 2 (CCL2) OTAD2HEL CCL2_HUMAN Gene/Protein Processing [3]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Gene/Protein Processing [2]
Catalase (CAT) OTHEBX9R CATA_HUMAN Gene/Protein Processing [3]
CD44 antigen (CD44) OT9TTJ41 CD44_HUMAN Gene/Protein Processing [2]
Cytochrome b-245 light chain (CYBA) OT16N9ZO CY24A_HUMAN Gene/Protein Processing [3]
Cytochrome P450 2C9 (CYP2C9) OTGLBN29 CP2C9_HUMAN Gene/Protein Processing [2]
Heme oxygenase 1 (HMOX1) OTC1W6UX HMOX1_HUMAN Gene/Protein Processing [4]
Histone deacetylase 1 (HDAC1) OTQDNOXZ HDAC1_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Proto-oncogene c-Src (SRC) DTT SRC 6.45E-01 -0.08 -0.58
Proto-oncogene c-Src (SRC) DTT SRC 2.08E-03 -0.52 -1.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 Butyric acid inhibits oxidative stress and inflammation injury in calcium oxalate nephrolithiasis by targeting CYP2C9. Food Chem Toxicol. 2023 Aug;178:113925. doi: 10.1016/j.fct.2023.113925. Epub 2023 Jul 4.
3 Anti-nephrolithic potential of resveratrol via inhibition of ROS, MCP-1, hyaluronan and osteopontin in vitro and in vivo. Pharmacol Rep. 2013;65(4):970-9.
4 Sirt1 inhibits kidney stones formation by attenuating calcium oxalate-induced cell injury. Chem Biol Interact. 2021 Sep 25;347:109605. doi: 10.1016/j.cbi.2021.109605. Epub 2021 Jul 29.