| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1161177
Max Phase: Preclinical
Molecular Formula: C19H20N6
Molecular Weight: 332.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N=C(NN=Cc1ccc(-c2cn3ccccc3n2)cc1)N1CCCC1
Standard InChI: InChI=1S/C19H20N6/c20-19(24-10-3-4-11-24)23-21-13-15-6-8-16(9-7-15)17-14-25-12-2-1-5-18(25)22-17/h1-2,5-9,12-14H,3-4,10-11H2,(H2,20,23)
Standard InChI Key: LTPBUZNHEOKFJN-UHFFFAOYSA-N
Associated Targets(non-human)
Brugia pahangi 212 Activities
Acanthocheilonema viteae 418 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: 332.41 | Molecular Weight (Monoisotopic): 332.1749 | AlogP: 2.96 | #Rotatable Bonds: 3 |
| Polar Surface Area: 68.78 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.67 | CX LogP: 2.73 | CX LogD: 2.28 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.44 | Np Likeness Score: -2.07 |
References
| 1. Sundberg RJ, Biswas S, Kumar Murthi K, Rowe D, McCall JW, Dzimianski MT.. (1998) Bis-cationic heteroaromatics as macrofilaricides: synthesis of bis-amidine and bis-guanylhydrazone derivatives of substituted imidazo[1,2-a]pyridines., 41 (22): [PMID:9784107] [10.1021/jm9803368] |
Source
Source(1):