Details of the Drug

General Information of Drug (ID: DMD08RH)

Drug Name
Acetate Ion
Synonyms
acetate; Acetate Ion; Acetic acid, ion(1-); Acetate ions; 71-50-1; monoacetate; MeCO2 anion; UNII-569DQM74SC; ethanoate; Acetat; 569DQM74SC; Shotgun; Ethanoat; CHEMBL1354; racemic acetate; Azetat; acetyl hydroxide; Acetic acid ion; Acetic cid glacial; TCLP extraction fluid 2; AC1Q1J9D; AC1Q1J2O; CH3-COO(-); AC1L18N9; DTXSID1037694; CTK5D4394; CHEBI:30089; MolPort-006-169-563; QTBSBXVTEAMEQO-UHFFFAOYSA-M; STL282721; CMC_13391; BDBM50159793; AKOS022101130; AN-25008; AN-23801; LS-189936; 1395-EP2380874A2; 1395-EP2380661A2; 1395-EP2316837A1
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) 59.04
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C2H3O2-
IUPAC Name
acetate
Canonical SMILES
CC(=O)[O-]
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKey
QTBSBXVTEAMEQO-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
175
ChEBI ID
CHEMBL30089
CAS Number
71-50-1
UNII
569DQM74SC
DrugBank ID
DB14511
TTD ID
D0F2ME
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensin-converting enzyme (ACE) TTL69WB ACE_HUMAN Inhibitor [1]
Bacterial Deoxyuridine triphosphate nucleotidohydrolase (Bact dut) TTY8KJS DUT_ECOLI Inhibitor [1]
Bacterial Glucosamine-6-phosphate synthase (Bact glmS) TTC67I0 GLMS_ECOLI Inhibitor [1]
Bacterial Hydroxymethyl-dihydropterin pyrophosphokinase (Bact folK) TT38ECI HPPK_ECOLI Inhibitor [1]
Calmodulin (CALM) TTV3NH6 CALM1_HUMAN ; CALM2_HUMAN ; CALM3_HUMAN Inhibitor [1]
Candida Mannose-6-phosphate isomerase (Candi PMI1) TT915ZD MPI_CANAL Inhibitor [1]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [1]
Dihydrodiol dehydrogenase type I (AKR1C3) TT5ZWB6 AK1C3_HUMAN Inhibitor [1]
Estrogen receptor beta (ESR2) TTOM3J0 ESR2_HUMAN Inhibitor [1]
GABA transaminase (ABAT) TTT2LD9 GABT_HUMAN Inhibitor [1]
Hydroxyphenylpyruvate dioxygenase (HPD) TT8DSFC HPPD_HUMAN Inhibitor [1]
Leukotriene A-4 hydrolase (LTA4H) TTXZEAJ LKHA4_HUMAN Inhibitor [1]
Matrix metalloproteinase-12 (MMP-12) TTXZ0KQ MMP12_HUMAN Inhibitor [1]
Mycobacterium Biosynthetic alanine racemase (MycB alr) TT6TMZU ALR_MYCSM Inhibitor [1]
Mycobacterium Thymidine monophosphate kinase (MycB tmk) TT5B8AX KTHY_MYCTU Inhibitor [1]
Nitric-oxide synthase brain (NOS1) TTZUFI5 NOS1_HUMAN Inhibitor [1]
Nitric-oxide synthase endothelial (NOS3) TTCM4B3 NOS3_HUMAN Inhibitor [1]
Pancreatic elastase 1 (CELA1) TT3NKIB CELA1_HUMAN Inhibitor [1]
Phospholipase A2 (PLA2G1B) TT9V5JH PA21B_HUMAN Inhibitor [1]
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase) TT3PQ2Y PYRD_PLAF7 Inhibitor [1]
Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ) TTBL49X HGXR_PLAFG Inhibitor [1]
PTPN1 messenger RNA (PTPN1 mRNA) TTELIN2 PTN1_HUMAN Inhibitor [1]
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU Inhibitor [1]
Staphylococcus D-amino acid aminotransferase (Stap-coc dat) TTN6GE9 DAAA_STAHA Inhibitor [1]
Superoxide dismutase Cu-Zn (SOD Cu-Zn) TT6RVLG SODC_HUMAN Inhibitor [1]
Thioredoxin (TXN) TTZJ5U9 THIO_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Heat shock factor protein 1 (HSF1) OTYNJ4KP HSF1_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 A Gene Expression Biomarker Predicts Heat Shock Factor 1 Activation in a Gene Expression Compendium. Chem Res Toxicol. 2021 Jul 19;34(7):1721-1737. doi: 10.1021/acs.chemrestox.0c00510. Epub 2021 Jun 25.