Details of the Drug

General Information of Drug (ID: DM7Q6M0)

Drug Name
Formaldehyde
Synonyms
formalin; methanal; formol; Paraformaldehyde; Methylene oxide; 50-00-0; Oxomethane; Paraform; Formic aldehyde; Oxymethylene; Methyl aldehyde; Formalith; Fannoform; Formaldehyde solution; Superlysoform; Methaldehyde; Morbicid; Formalina; Lysoform; Karsan; Formaline; Oxomethylene; Formaldehyd; Polyoxymethylene; Aldehyde formique; FYDE; Formaldehyde, gas; Formalin 40; Aldeide formica; 30525-89-4; Oplossingen; Dormol; Polyformaldehyde; Formalin-loesungen; Paraformic aldehyde; Rcra waste number U122; Aldacide; Paraformaldehydum
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) 30.026
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Drug dependence Not Available OPRM1 OT16AAT8 [2]
Drug dependence Not Available ADORA1 OTI7X39E [2]
Chemical Identifiers
Formula
CH2O
IUPAC Name
formaldehyde
Canonical SMILES
C=O
InChI
InChI=1S/CH2O/c1-2/h1H2
InChIKey
WSFSSNUMVMOOMR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
712
ChEBI ID
CHEMBL16842
CAS Number
50-00-0
UNII
1HG84L3525
DrugBank ID
DB03843
TTD ID
D01KEE
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial DD-carboxypeptidase (Bact vanYB) TTLP6GN VANY_ENTFA Inhibitor [3]
Transformation-sensitive protein p120 (TRPA1) TTELV3W TRPA1_HUMAN Activator [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
(Lyso)-N-acylphosphatidylethanolamine lipase (ABHD4) OTQK3M9X ABHD4_HUMAN Gene/Protein Processing [5]
1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon (AGPAT5) OTNY3VMD PLCE_HUMAN Gene/Protein Processing [6]
1-acyl-sn-glycerol-3-phosphate acyltransferase gamma (AGPAT3) OTAUR5TG PLCC_HUMAN Gene/Protein Processing [5]
1-acylglycerol-3-phosphate O-acyltransferase ABHD5 (ABHD5) OTY829Z3 ABHD5_HUMAN Gene/Protein Processing [5]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1 (PLCB1) OT9HYT7A PLCB1_HUMAN Gene/Protein Processing [5]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-1 (PLCH1) OT6Z1L2E PLCH1_HUMAN Gene/Protein Processing [5]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (PLCG1) OTSBQR6D PLCG1_HUMAN Gene/Protein Processing [5]
14 kDa phosphohistidine phosphatase (PHPT1) OTFYWNFX PHP14_HUMAN Gene/Protein Processing [5]
14-3-3 protein epsilon OT3WQXNA 1433E_HUMAN Gene/Protein Processing [5]
14-3-3 protein sigma (SFN) OTLJCZ1U 1433S_HUMAN Gene/Protein Processing [5]
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References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4196).
2 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
3 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4 An ion channel essential for sensing chemical damage. J Neurosci. 2007 Oct 17;27(42):11412-5.
5 Characterization of formaldehyde's genotoxic mode of action by gene expression analysis in TK6 cells. Arch Toxicol. 2013 Nov;87(11):1999-2012.
6 Gene expression changes in primary human nasal epithelial cells exposed to formaldehyde in vitro. Toxicol Lett. 2010 Oct 5;198(2):289-95.