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
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.