Details of the Drug

General Information of Drug (ID: DMJBO3D)

• Drug Name: 2-Sulfhydryl-Ethanol
• Synonyms: beta-Mercaptoethanol; 2-mercaptoethanol; 60-24-2; Thioglycol; Mercaptoethanol; Beta-Mercaptoethanol; Ethanol, 2-mercapto-; 2-Sulfanylethanol; 2-Thioethanol; Thioethylene glycol; 2-Hydroxyethanethiol; 2-Hydroxyethyl mercaptan; 2-Hydroxy-1-ethanethiol; Thiomonoglycol; Monothioglycol; 2-Mercapto-1-ethanol; 1-Ethanol-2-thiol; Hydroxyethyl mercaptan; Monothioethylene glycol; 2-Mercaptoethyl alcohol; 2-ME; Mercaptoetanol; Ethylene glycol, monothio-; 1-Hydroxy-2-mercaptoethane; 1-Mercapto-2-hydroxyethane; 2-Hydroxyethylmercaptan; Emery 5791; USAF EK-4196

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1], [2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 78.14
  Topological Polar Surface Area (xlogp); -0.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C2H6OS
  IUPAC Name: 2-sulfanylethanol
  Canonical SMILES: C(CS)O
  InChI: InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
  InChIKey: DGVVWUTYPXICAM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1567
  ChEBI ID: CHEBI:41218
  CAS Number: 60-24-2
  DrugBank ID: DB03345
  TTD ID: D0Q5FV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Alpha-1-antitrypsin (SERPINA1)	TTA7UJC	A1AT_HUMAN	Inhibitor	[2]
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	Inhibitor	[1]
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]
Delta-aminolevulinic acid dehydratase (ALAD)	TTJHKYD	HEM2_HUMAN	Inhibitor	[1]
Fibroblast growth factor-2 (FGF2)	TTGKIED	FGF2_HUMAN	Inhibitor	[1]
High mobility group protein B1 (HMGB1)	TTWQYB7	HMGB1_HUMAN	Inhibitor	[1]
Hydroxysteroid dehydrogenase 3-beta (HSD3B)	TTZT9R2	3BHS1_HUMAN; 3BHS2_HUMAN	Inhibitor	[1]
Lactoylglutathione lyase (GLO1)	TTV9A7R	LGUL_HUMAN	Inhibitor	[2]
M-phase inducer phosphatase 2 (MPIP2)	TTR0SWN	MPIP2_HUMAN	Inhibitor	[1]
Plasmodium Adenylosuccinate synthetase (Malaria Adss)	TTYQ4AE	PURA_PLAFA	Inhibitor	[1]
Polypeptide deformylase (PDF)	TT9SL3Q	DEFM_HUMAN	Inhibitor	[1]

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
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

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