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
CHEMBL146755
CAS Number
144-62-7
UNII
9E7R5L6H31
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
C-C motif chemokine 2 (CCL2) OTAD2HEL CCL2_HUMAN Gene/Protein Processing [2]
CD44 antigen (CD44) OT9TTJ41 CD44_HUMAN Gene/Protein Processing [3]
Cytochrome b-245 light chain (CYBA) OT16N9ZO CY24A_HUMAN Gene/Protein Processing [2]
Mucin-5AC (MUC5AC) OTJV8O04 MUC5A_HUMAN Gene/Protein Processing [4]
SAM pointed domain-containing Ets transcription factor (SPDEF) OTCXQTXT SPDEF_HUMAN Gene/Protein Processing [4]
Solute carrier family 26 member 6 (SLC26A6) OTR8LTK0 S26A6_HUMAN Regulation of Drug Effects [5]
Transforming growth factor beta-1 proprotein (TGFB1) OTV5XHVH TGFB1_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 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.
3 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.
4 Effects of Wood Smoke Constituents on Mucin Gene Expression in Mice and Human Airway Epithelial Cells and on Nasal Epithelia of Subjects with a Susceptibility Gene Variant in Tp53. Environ Health Perspect. 2022 Jan;130(1):17010. doi: 10.1289/EHP9446. Epub 2022 Jan 24.
5 Estrogen treatment reduced oxalate transporting activity and enhanced migration through the involvement of SLC26A6 in lung cancer cells. Toxicol In Vitro. 2022 Aug;82:105373. doi: 10.1016/j.tiv.2022.105373. Epub 2022 Apr 29.