Details of the Drug

General Information of Drug (ID: DM4L0R7)

Drug Name
Maleic Acid
Synonyms 2-(2-ethoxyethyl)-3-ethylbut-2-enedioic acid; 6309-80-4; AC1L5ZJW; CTK6G3643; CTK5B7536; DTXSID10285386; Maleic acid,(2-ethoxyethyl)ethyl- (8CI)
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) 116.07
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C4H4O4
IUPAC Name
(Z)-but-2-enedioic acid
Canonical SMILES
C(=C\\C(=O)O)\\C(=O)O
InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
InChIKey
VZCYOOQTPOCHFL-UPHRSURJSA-N
Cross-matching ID
PubChem CID
444266
ChEBI ID
CHEBI:18300
CAS Number
110-16-7
UNII
91XW058U2C
DrugBank ID
DB04299
TTD ID
D0E7UH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cytoplasmic aspartate aminotransferase (GOT1) TTU507L AATC_HUMAN Inhibitor [1]
Trypanosoma Trypanothione reductase (Trypano TPR) TTRTKPV TYTR_TRYBB Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
3-phosphoinositide-dependent protein kinase 1 (PDPK1) OTT09ZVP PDPK1_HUMAN Gene/Protein Processing [2]
5'-3' DNA helicase ZGRF1 OTFPSF6A ZGRF1_HUMAN Gene/Protein Processing [2]
Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 1 (AGAP1) OTVX8835 AGAP1_HUMAN Gene/Protein Processing [2]
Collagen and calcium-binding EGF domain-containing protein 1 (CCBE1) OTO4UIDB CCBE1_HUMAN Gene/Protein Processing [2]
Complement receptor type 1 (CR1) OTODWRW4 CR1_HUMAN Gene/Protein Processing [2]
EF-hand calcium-binding domain-containing protein 4A (CRACR2B) OT8L843R EFC4A_HUMAN Gene/Protein Processing [2]
F-box only protein 40 (FBXO40) OTS62YA2 FBX40_HUMAN Gene/Protein Processing [2]
Flavin-containing monooxygenase 1 (FMO1) OTTHSQKP FMO1_HUMAN Gene/Protein Processing [2]
Glutamate receptor 1 (GRIA1) OT85LOCJ GRIA1_HUMAN Gene/Protein Processing [2]
Glutathione hydrolase 5 proenzyme (GGT5) OTDJYEO7 GGT5_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2 Profiling transcriptomes of human SH-SY5Y neuroblastoma cells exposed to maleic acid. PeerJ. 2017 Apr 5;5:e3175.