Standard InChI: InChI=1S/C22H15Cl2F4N3OS/c1-11-10-16(12-6-8-13(9-7-12)32-22(27,28)21(24)26)33-18(11)20-29-19(30-31(20)2)17-14(23)4-3-5-15(17)25/h3-10,21H,1-2H3
Standard InChI Key: GWTSCYLKUVXPEM-UHFFFAOYSA-N
Associated Targets(non-human)
Trichoplusia ni 986 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Spodoptera exigua 540 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Heliothis virescens 272 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Tetranychus urticae 2600 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Myzus persicae 1112 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Aphis gossypii 526 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Bemisia tabaci 599 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Molecule Features
Natural Product: No
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
Drug Indications
MESH ID
MESH Heading
EFO IDs
EFO Terms
Max Phase for Indication
References
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Properties
Molecular Weight: 516.35
Molecular Weight (Monoisotopic): 515.0249
AlogP: 7.48
#Rotatable Bonds: 6
Polar Surface Area: 39.94
Molecular Species: NEUTRAL
HBA: 5
HBD: 0
#RO5 Violations: 2
HBA (Lipinski): 4
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 2
CX Acidic pKa:
CX Basic pKa:
CX LogP: 7.85
CX LogD: 7.85
Aromatic Rings: 4
Heavy Atoms: 33
QED Weighted: 0.20
Np Likeness Score: -1.29
References
1.Cudworth DP, Hegde VB, Yap MC, Guenthenspberger KA, Hamilton CT, Pechacek JT, Johnson PL, Bis SJ, Tisdell FE, Dripps JE, Bruce TJ, Dintenfass LP, Gifford JM, Karr LL, Kempe MK, McCormick DC, Schoonover JR.. (2007) Structure-activity relationship development of dihaloaryl triazole compounds as insecticides and acaricides. 1. Phenyl thiophen-2-yl triazoles., 55 (18):[PMID:17696361][10.1021/jf071498s]
