| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA182364
Max Phase: Preclinical
Molecular Formula: C14H21N5
Molecular Weight: 259.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc2[nH]c(CN3CCNCCNCC3)nc2c1
Standard InChI: InChI=1S/C14H21N5/c1-2-4-13-12(3-1)17-14(18-13)11-19-9-7-15-5-6-16-8-10-19/h1-4,15-16H,5-11H2,(H,17,18)
Standard InChI Key: JPSIAWFSEUYISV-UHFFFAOYSA-N
Associated Targets(Human)
Cell line 371 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: 259.36 | Molecular Weight (Monoisotopic): 259.1797 | AlogP: 0.56 | #Rotatable Bonds: 2 |
| Polar Surface Area: 55.98 | Molecular Species: BASE | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.49 | CX Basic pKa: 9.87 | CX LogP: 0.23 | CX LogD: -2.26 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.74 | Np Likeness Score: -1.52 |
References
| 1. Ji HF, Zhang HY.. (2005) A new strategy to combat Alzheimer's disease. Combining radical-scavenging potential with metal-protein-attenuating ability in one molecule., 15 (1): [PMID:15582403] [10.1016/j.bmcl.2004.10.047] |
Source
Source(1):