methomyl

ID: ALA3085419

Chembl Id: CHEMBL3085419

Cas Number: 16752-77-5

PubChem CID: 4109

Max Phase: Preclinical

Molecular Formula: C5H10N2O2S

Molecular Weight: 162.21

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CNC(=O)ON=C(C)SC

Standard InChI:  InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)

Standard InChI Key:  UHXUZOCRWCRNSJ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3085419

   METHOMYL

Molecule Features

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 162.21

Molecular Weight (Monoisotopic): 162.0463

AlogP: 1.04

#Rotatable Bonds: 1

Polar Surface Area: 50.69

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 14.00

CX Basic pKa: 0.69

CX LogP: 0.72

CX LogD: 0.72

Aromatic Rings: 0

Heavy Atoms: 10

QED Weighted: 0.27

Np Likeness Score: 0.30

References

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3. Chen L, Huang Z, Wang Q, Shang J, Huang R, Bi F..  (2007)  Insecticidal benzoylphenylurea-S-carbamate: a new propesticide with two effects of both benzoylphenylureas and carbamates.,  55  (7): [PMID:17348679] [10.1021/jf063564g]

4. Xia XM, Wang KY, Wang HY..  (2009)  Resistance of Helicoverpa assulta (Guenée) (Lepidoptera: Noctuidae) to fenvalerate, phoxim and methomyl in China,  28  (2): [10.1016/j.cropro.2008.10.003]

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6. Ahmad NW, Huang TS, Balabaskaran S, Lo KM, Das VG..  (1994)  Insecticidal Effects of Organotin(IV) Compounds on Plutella Xylostella (L.) Larvae. II. Inhibitory Potencies Against Acetylcholinesterase and Evidence for Synergism in Tests With Bacillus Thuringiensis(BER.) and Malathion.,  1  (1): [PMID:18476213] [10.1155/mbd.1994.1]

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8. Yokoyama A, Ohtsu K, Iwafune T, Nagai T, Ishihara S, Kobara Y, Horio T, Endo S.  (2009)  A useful new insecticide bioassay using first-instar larvae of a net-spinning caddisfly, Cheumatopsyche brevilineata (Trichoptera: Hydropsychidae),  34  (1): [10.1584/jpestics.G08-26]

9. Campos MR, Picanço MC, Martins JC, Tomaz AC, Guedes RNC..  (2011)  Insecticide selectivity and behavioral response of the earwig Doru luteipes,  30  (12): [10.1016/j.cropro.2011.08.013]

10. Desaeger JA, Rivera M, Leighty R, Portillo H..  (2011)  Effect of methomyl and oxamyl soil applications on early control of nematodes and insects.,  67  (5): [PMID:21438120] [10.1002/ps.2058]

11. Saito S, Sakamoto N, Umeda K.  (2005)  Effects of Pyridalyl, a Novel Insecticidal Agent, on Cultured Sf9 Cells,  30  (1): [10.1584/jpestics.30.17]

12. Bruck DJ, Bolda M, Tanigoshi L, Klick J, Kleiber J, DeFrancesco J, Gerdeman B, Spitler H..  (2011)  Laboratory and field comparisons of insecticides to reduce infestation of Drosophila suzukii in berry crops.,  67  (11): [PMID:21800409] [10.1002/ps.2242]

13. Tohnishi M, Nakao H, Furuya T, Seo A, Kodama H, Tsubata K, Fujioka S, Kodama H, Hirooka T, Nishimatsu T.  (2005)  Flubendiamide, a Novel Insecticide Highly Active against Lepidopterous Insect Pests,  30  (4): [10.1584/jpestics.30.354]

14. Sun J, Liang P, Gao X..  (2012)  Cross-resistance patterns and fitness in fufenozide-resistant diamondback moth, Plutella xylostella (Lepidoptera: Plutellidae).,  68  (2): [PMID:21858910] [10.1002/ps.2258]

15. Hannig GT, Ziegler M, Marçon PG..  (2009)  Feeding cessation effects of chlorantraniliprole, a new anthranilic diamide insecticide, in comparison with several insecticides in distinct chemical classes and mode-of-action groups.,  65  (9): [PMID:19449341] [10.1002/ps.1781]

16. De Bruyn T, van Westen GJ, Ijzerman AP, Stieger B, de Witte P, Augustijns PF, Annaert PP..  (2013)  Structure-based identification of OATP1B1/3 inhibitors.,  83  (6): [PMID:23571415] [10.1124/mol.112.084152]

17. PubChem BioAssay data set, 

Source

Source(2):

• Scientific Literature
• PubChem BioAssays