Details of the Drug

General Information of Drug (ID: DMQFBH6)

Drug Name
Hydroxyacetic Acid
Synonyms
glycolic acid; 2-Hydroxyacetic acid; hydroxyacetic acid; 79-14-1; Glycollic acid; Hydroxyethanoic acid; Acetic acid, hydroxy-; glycolate; Caswell No. 470; alpha-Hydroxyacetic acid; Kyselina glykolova; Kyselina glykolova [Czech]; Kyselina hydroxyoctova; HOCH2COOH; 2-Hydroxyethanoic acid; Kyselina hydroxyoctova [Czech]; Glycocide; EPA Pesticide Chemical Code 000101; GlyPure; HSDB 5227; NSC 166; Acetic acid, 2-hydroxy-; AI3-15362; UNII-0WT12SX38S; GlyPure 70; BRN 1209322; GLYCOLLATE; C2H4O3; Acetic acid, hydroxy-, homopolymer; EINECS 201-
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) 76.05
Logarithm of the Partition Coefficient (xlogp) -1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C2H4O3
IUPAC Name
2-hydroxyacetic acid
Canonical SMILES
C(C(=O)O)O
InChI
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKey
AEMRFAOFKBGASW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
757
ChEBI ID
CHEMBL17497
CAS Number
79-14-1
UNII
0WT12SX38S
DrugBank ID
DB03085
TTD ID
D01HNP
VARIDT ID
DR01497
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucose-6-phosphate dehydrogenase (G6PD) TTKN8W0 G6PD_HUMAN Inhibitor [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Monocarboxylate transporter 1 (SLC16A1) DT342ZG MOT1_HUMAN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Homeobox protein unc-4 homolog OTOW7WTS UNC4_HUMAN Gene/Protein Processing [3]
Paired box protein Pax-3 (PAX3) OTN5PJZV PAX3_HUMAN Gene/Protein Processing [3]
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
Glucose-6-phosphate dehydrogenase (G6PD) DTT G6PD 7.05E-07 2.13 4.86
Monocarboxylate transporter 1 (SLC16A1) DTP MCT1 2.86E-01 -1.74E-01 -1.76E-01
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 Cidofovir peptide conjugates as prodrugs. Journal of Organometallic Chemistry, 2005, 690(10):2673-2678.
3 Exposure-based assessment of chemical teratogenicity using morphogenetic aggregates of human embryonic stem cells. Reprod Toxicol. 2020 Jan;91:74-91. doi: 10.1016/j.reprotox.2019.10.004. Epub 2019 Nov 8.