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]
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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: CHEBI:17497
CAS Number: 79-14-1
DrugBank ID: DB03085
TTD ID: D01HNP
VARIDT ID: DR01497

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]

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Drug Transporter (DTP)

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

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Fibroblast growth factor 8 (FGF8)	OTFU0IUW	FGF8_HUMAN	Gene/Protein Processing	[3]
Homeobox protein unc-4 homolog	OTOW7WTS	UNC4_HUMAN	Gene/Protein Processing	[3]
Interleukin-1 beta (IL1B)	OT0DWXXB	IL1B_HUMAN	Gene/Protein Processing	[4]
Paired box protein Pax-3 (PAX3)	OTN5PJZV	PAX3_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.
4	Mechanistic-based non-animal assessment of eye toxicity: Inflammatory profile of human keratinocytes cells after exposure to eye damage/irritant agents. Chem Biol Interact. 2018 Aug 25;292:1-8. doi: 10.1016/j.cbi.2018.06.031. Epub 2018 Jun 25.