3-(2,2-Dichloro-vinyl)-2,2-dimethyl-cyclopropanecarboxylic acid cyano-(3-phenoxy-phenyl)-methyl ester

ID: ALA373204

Chembl Id: CHEMBL373204

Cas Number: 52315-07-8

PubChem CID: 2912

Product Number: C109860

Max Phase: Unknown

Molecular Formula: C22H19Cl2NO3

Molecular Weight: 416.30

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: .alpha.-cypermethrin | .zeta.-cypermethrin | Alpha-Cypermethrin | Alphacypermethrin | Cypermethrin, .zeta.- | Dudu alpha | NSC-760420 | WL85871 | cypermethrin|52315-07-8|Supercypermethrin|alpha-cypermethrin|Zeta-cypermethrin|Beta-cypermethrin|Ripcord|Ammo|Cypermethrine|Basathrin|Cymbush|Ustaad|Agrothrin|Creokhin|Cymperator|Cypercopal|Cyperkill|Cypersect|Flectron|Hilcyperin|Neramethrin|Arrivo|Cyperco|Kordon|Mustang|Sherpa|Siperin|Toppel|Ardap|Demon|Excis|Fenom|Colt|cis-Cypermethrin|Ambush C|67375Show More

Canonical SMILES:  CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

Standard InChI:  InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

Standard InChI Key:  KAATUXNTWXVJKI-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

Associated Targets(Human)

H4 (3266 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (95332 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Plutella xylostella (1838 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Spodoptera frugiperda (784 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Heliothis virescens (272 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blattella germanica (87 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bemisia tabaci (599 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Culex pipiens pallens (759 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Spodoptera litura (1708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichogramma nubilale (84 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichoplusia ni (986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Spodoptera exigua (540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Helicoverpa armigera (708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aphis gossypii (526 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Helicoverpa zea (137 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: YesOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: 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: 416.30Molecular Weight (Monoisotopic): 415.0742AlogP: 6.18#Rotatable Bonds: 6
Polar Surface Area: 59.32Molecular Species: NEUTRALHBA: 4HBD: 0
#RO5 Violations: 1HBA (Lipinski): 4HBD (Lipinski): 0#RO5 Violations (Lipinski): 1
CX Acidic pKa: 10.65CX Basic pKa: CX LogP: 5.44CX LogD: 5.44
Aromatic Rings: 2Heavy Atoms: 28QED Weighted: 0.53Np Likeness Score: 0.25

References

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17. Carletto J, Martin T, Vanlerberghe-Masutti F, Brévault T..  (2010)  Insecticide resistance traits differ among and within host races in Aphis gossypii.,  66  (3): [PMID:19908228] [10.1002/ps.1874]
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