| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1161172
Max Phase: Preclinical
Molecular Formula: C17H22N10
Molecular Weight: 366.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C(=NNC1=NCCCN1)c1ccc2nc(C=NNC3=NCCCN3)cn2c1
Standard InChI: InChI=1S/C17H22N10/c1-5-18-16(19-6-1)25-22-9-13-3-4-15-24-14(12-27(15)11-13)10-23-26-17-20-7-2-8-21-17/h3-4,9-12H,1-2,5-8H2,(H2,18,19,25)(H2,20,21,26)
Standard InChI Key: TVAJPNYGKMYCRW-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: 366.43 | Molecular Weight (Monoisotopic): 366.2029 | AlogP: -0.12 | #Rotatable Bonds: 4 |
| Polar Surface Area: 114.86 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.02 | CX LogP: 0.20 | CX LogD: -0.09 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.44 | Np Likeness Score: -0.92 |
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):