| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2064245
Max Phase: Preclinical
Molecular Formula: C17H14F2N2
Molecular Weight: 284.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2
Standard InChI: InChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16+/m1/s1
Standard InChI Key: NJZHEQOUHLZCOX-WWGRRREGSA-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: 284.31 | Molecular Weight (Monoisotopic): 284.1125 | AlogP: 4.19 | #Rotatable Bonds: 1 |
| Polar Surface Area: 24.92 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.79 | CX LogP: 3.05 | CX LogD: 3.05 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.79 | Np Likeness Score: -0.98 |
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):