| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2064248
Max Phase: Preclinical
Molecular Formula: C18H16F2N2
Molecular Weight: 298.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1c2c(F)cc(F)cc2[C@@H]2C=CC[C@@H]2[C@@H]1c1cccnc1
Standard InChI: InChI=1S/C18H16F2N2/c1-22-17(11-4-3-7-21-10-11)14-6-2-5-13(14)15-8-12(19)9-16(20)18(15)22/h2-5,7-10,13-14,17H,6H2,1H3/t13-,14+,17+/m1/s1
Standard InChI Key: YAEPCDBQNNDLJN-KEYYUXOJSA-N
Associated Targets(non-human)
Anopheles stephensi 118 Activities
Aedes aegypti 630 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 298.34 | Molecular Weight (Monoisotopic): 298.1282 | AlogP: 4.21 | #Rotatable Bonds: 1 |
| Polar Surface Area: 16.13 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.79 | CX LogP: 3.69 | CX LogD: 3.69 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.73 | Np Likeness Score: -0.68 |
References
| 1. Mack DJ, Isoe J, Miesfeld RL, Njardarson JT.. (2012) Distinct biological effects of golgicide a derivatives on larval and adult mosquitoes., 22 (16): [PMID:22818079] [10.1016/j.bmcl.2012.06.076] |
Source
Source(1):