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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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]
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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: CHEBI:16842
CAS Number: 50-00-0
DrugBank ID: DB03843
TTD ID: D01KEE

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]

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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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.