| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1161146
Max Phase: Preclinical
Molecular Formula: C23H26N6
Molecular Weight: 386.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N=C(c1ccc(-c2cn3cc(C(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1
Standard InChI: InChI=1S/C23H26N6/c24-22(27-11-1-2-12-27)18-7-5-17(6-8-18)20-16-29-15-19(9-10-21(29)26-20)23(25)28-13-3-4-14-28/h5-10,15-16,24-25H,1-4,11-14H2
Standard InChI Key: SZOMNQGVCMUWEP-UHFFFAOYSA-N
Associated Targets(non-human)
Meriones unguiculatus 417 Activities
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: 386.50 | Molecular Weight (Monoisotopic): 386.2219 | AlogP: 3.84 | #Rotatable Bonds: 3 |
| Polar Surface Area: 71.48 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.91 | CX LogP: 2.52 | CX LogD: -2.16 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.53 | Np Likeness Score: -1.02 |
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):