| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1161181
Max Phase: Preclinical
Molecular Formula: C16H14N4
Molecular Weight: 262.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(-c2cn3cc(C4=NCCN4)ccc3n2)cc1
Standard InChI: InChI=1S/C16H14N4/c1-2-4-12(5-3-1)14-11-20-10-13(6-7-15(20)19-14)16-17-8-9-18-16/h1-7,10-11H,8-9H2,(H,17,18)
Standard InChI Key: GSOUCKIJEXJFJO-UHFFFAOYSA-N
Associated Targets(non-human)
Brugia pahangi 212 Activities
Acanthocheilonema viteae 418 Activities
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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 |
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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: 262.32 | Molecular Weight (Monoisotopic): 262.1218 | AlogP: 2.35 | #Rotatable Bonds: 2 |
| Polar Surface Area: 41.69 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.82 | CX LogP: 2.04 | CX LogD: 0.64 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.77 | Np Likeness Score: -1.42 |
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):