ID: ALA2271765
Chembl Id: CHEMBL2271765
Cas Number: 139968-49-3
PubChem CID: 11614934
Product Number: M134291
Max Phase: Preclinical
Molecular Formula: C24H16F6N4O2
Molecular Weight: 506.41
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: N#Cc1ccc(C/C(=N\NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2cccc(C(F)(F)F)c2)cc1
Standard InChI: InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+
Standard InChI Key: MIFOMMKAVSCNKQ-QNKGDIEWSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 506.41 | Molecular Weight (Monoisotopic): 506.1177 | AlogP: 6.24 | #Rotatable Bonds: 6 |
| Polar Surface Area: 86.51 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 11.17 | CX Basic pKa: | CX LogP: 6.86 | CX LogD: 6.86 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.24 | Np Likeness Score: -1.57 |
| 1. Gradish AE, Scott-Dupree CD, Shipp L, Harris CR, Ferguson G.. (2011) Effect of reduced risk pesticides on greenhouse vegetable arthropod biological control agents., 67 (1): [PMID:21162147] [10.1002/ps.2036] |
| 2. 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] |
| 3. PubChem BioAssay data set, |
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