Formaldehyde

ID: ALA1255

Chembl Id: CHEMBL1255

Cas Number: 50-00-0

PubChem CID: 712

Product Number: F111938

Max Phase: Approved

Molecular Formula: CH2O

Molecular Weight: 30.03

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: Formaldehyde | Formaldehyde solution | Formalin | Formalinum | Formic aldehyde | Lysoform | Oxymethylene | Paraform | Superlysoform | NSC-298885 | formaldehyde|formalin|methanal|Paraformaldehyde|50-00-0|formol|Oxomethane|Paraform|Methylene oxide|Formic aldehyde|Oxymethylene|Superlysoform|Lysoform|Methyl aldehyde|Fannoform|Formalith|Formalina|Methaldehyde|Oxomethylene|Morbicid|Karsan|30525-89-4|Formaldehyd|Formaline|Aldehyde formique|FYDE|Formaldehyde, gas|Aldeide formica|Oplossingen|Formalin 40|Show More

Trade Names(2): Dowling's | Veracur

Canonical SMILES:  C=O

Standard InChI:  InChI=1S/CH2O/c1-2/h1H2

Standard InChI Key:  WSFSSNUMVMOOMR-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

  2. Alternative Forms:

Associated Targets(Human)

MPO Tchem Myeloperoxidase (1002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI/ADR-RES (33767 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DNA (187 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptococcus pyogenes (16140 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas putida (467 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALPL Alkaline phosphatase, tissue-nonspecific isozyme (128 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Carboxylesterase (379 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: YesAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 30.03Molecular Weight (Monoisotopic): 30.0106AlogP: -0.18#Rotatable Bonds: 0
Polar Surface Area: 17.07Molecular Species: HBA: 1HBD: 0
#RO5 Violations: 0HBA (Lipinski): 1HBD (Lipinski): 0#RO5 Violations (Lipinski): 0
CX Acidic pKa: CX Basic pKa: CX LogP: -0.47CX LogD: -0.47
Aromatic Rings: 0Heavy Atoms: 2QED Weighted: 0.36Np Likeness Score: 0.41

References

1. Bodor N, Kaminski JJ, Selk S..  (1980)  Soft drugs. 1. Labile quaternary ammonium salts as soft antimicrobials.,  23  (5): [PMID:7381846] [10.1021/jm00179a001]
2. Buchholz F, Wolf A, Lerchner J, Mertens F, Harms H, Maskow T..  (2010)  Chip calorimetry for fast and reliable evaluation of bactericidal and bacteriostatic treatments of biofilms.,  54  (1): [PMID:19822705] [10.1128/aac.00583-09]
3. Fourches D, Barnes JC, Day NC, Bradley P, Reed JZ, Tropsha A..  (2010)  Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.,  23  (1): [PMID:20014752] [10.1021/tx900326k]
4. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 
5. Unpublished dataset, 
6. Unpublished dataset, 
7. Unpublished dataset, 
8. Unpublished dataset, 
9. PubChem BioAssay data set, 
10. Mallory CM, Carfi RP, Moon S, Cornell KA, Warner DL..  (2015)  Modification of cellular DNA by synthetic aziridinomitosenes.,  23  (23): [PMID:26541587] [10.1016/j.bmc.2015.10.028]
11. Patil S, Lis LG, Schumacher RJ, Norris BJ, Morgan ML, Cuellar RA, Blazar BR, Suryanarayanan R, Gurvich VJ, Georg GI..  (2015)  Phosphonooxymethyl Prodrug of Triptolide: Synthesis, Physicochemical Characterization, and Efficacy in Human Colon Adenocarcinoma and Ovarian Cancer Xenografts.,  58  (23): [PMID:26596892] [10.1021/acs.jmedchem.5b01329]
12. British National Formulary (72nd edition), 
13. Soubhye J, Gelbcke M, Van Antwerpen P, Dufrasne F, Boufadi MY, Nève J, Furtmüller PG, Obinger C, Zouaoui Boudjeltia K, Meyer F..  (2017)  From Dynamic Combinatorial Chemistry to in Vivo Evaluation of Reversible and Irreversible Myeloperoxidase Inhibitors.,  (2): [PMID:28197313] [10.1021/acsmedchemlett.6b00417]
14. de Koning MC, Joosen MJA, Worek F, Nachon F, van Grol M, Klaassen SD, Alkema DPW, Wille T, de Bruijn HM..  (2017)  Application of the Ugi Multicomponent Reaction in the Synthesis of Reactivators of Nerve Agent Inhibited Acetylcholinesterase.,  60  (22): [PMID:29091431] [10.1021/acs.jmedchem.7b01083]
15. Yakushiji F, Muguruma K, Hayashi Y, Shirasaka T, Kawamata R, Tanaka H, Yoshiwaka Y, Taguchi A, Takayama K, Hayashi Y..  (2017)  Click strategy using disodium salts of amino acids improves the water solubility of plinabulin and KPU-300.,  25  (14): [PMID:28528081] [10.1016/j.bmc.2017.04.024]
16. Unpublished dataset, 
17. Andersson V, Bergström F, Brånalt J, Grönberg G, Gustafsson D, Karlsson S, Polla M, Bergman J, Kihlberg J..  (2016)  Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability.,  59  (14): [PMID:27347787] [10.1021/acs.jmedchem.5b01871]
18. Monastyrskyi A, Brockmeyer F, LaCrue AN, Zhao Y, Maher SP, Maignan JR, Padin-Irizarry V, Sakhno YI, Parvatkar PT, Asakawa AH, Huang L, Casandra D, Mashkouri S, Kyle DE, Manetsch R..  (2021)  Aminoalkoxycarbonyloxymethyl Ether Prodrugs with a pH-Triggered Release Mechanism: A Case Study Improving the Solubility, Bioavailability, and Efficacy of Antimalarial 4(1H)-Quinolones with Single Dose Cures.,  64  (10.0): [PMID:33979164] [10.1021/acs.jmedchem.0c01104]
19. Barthel BL, Mooz EL, Wiener LE, Koch GG, Koch TH..  (2016)  Correlation of in Situ Oxazolidine Formation with Highly Synergistic Cytotoxicity and DNA Cross-Linking in Cancer Cells from Combinations of Doxorubicin and Formaldehyde.,  59  (5): [PMID:26881291] [10.1021/acs.jmedchem.5b01956]