| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1161170
Max Phase: Preclinical
Molecular Formula: C19H26N10
Molecular Weight: 394.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N=C(NN=Cc1ccc2nc(C=NNC(=N)N3CCCC3)cn2c1)N1CCCC1
Standard InChI: InChI=1S/C19H26N10/c20-18(27-7-1-2-8-27)25-22-11-15-5-6-17-24-16(14-29(17)13-15)12-23-26-19(21)28-9-3-4-10-28/h5-6,11-14H,1-4,7-10H2,(H2,20,25)(H2,21,26)
Standard InChI Key: ODLDHAYUNGPKGC-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: 394.49 | Molecular Weight (Monoisotopic): 394.2342 | AlogP: 1.24 | #Rotatable Bonds: 4 |
| Polar Surface Area: 120.26 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.92 | CX LogP: 1.31 | CX LogD: 0.47 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.35 | Np Likeness Score: -1.12 |
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):