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
Topological Polar Surface Area (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]
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 A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
3 Synthesis and Src kinase inhibitory activity of a series of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles. J Med Chem. 2006 Dec 28;49(26):7868-76.
4 In vivo antitumor activity of herbimycin A, a tyrosine kinase inhibitor, targeted against BCR/ABL oncoprotein in mice bearing BCR/ABL-transfected cells. Leuk Res. 1994 Nov;18(11):867-73.
5 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
6 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
7 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
8 Novel dual Src/Abl inhibitors for hematologic and solid malignancies.Expert Opin Investig Drugs.2010 Aug;19(8):931-45.
9 Clinical pipeline report, company report or official report of Turning Point Therapeutics.