| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1161166
Max Phase: Preclinical
Molecular Formula: C19H20N4
Molecular Weight: 304.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N=C(c1ccc(-c2cn3ccccc3n2)cc1)N1CCCCC1
Standard InChI: InChI=1S/C19H20N4/c20-19(22-11-3-1-4-12-22)16-9-7-15(8-10-16)17-14-23-13-5-2-6-18(23)21-17/h2,5-10,13-14,20H,1,3-4,11-12H2
Standard InChI Key: CZHVKDGNJMLYBZ-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 |
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Properties
| Molecular Weight: 304.40 | Molecular Weight (Monoisotopic): 304.1688 | AlogP: 3.81 | #Rotatable Bonds: 2 |
| Polar Surface Area: 44.39 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.76 | CX LogP: 3.10 | CX LogD: 0.73 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.58 | Np Likeness Score: -1.55 |
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):