ID: ALA86527
Chembl Id: CHEMBL86527
PubChem CID: 16048115
Max Phase: Preclinical
Molecular Formula: C17H38N4
Molecular Weight: 298.52
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCNCCCNCCCNCCCNCC1CCCC1
Standard InChI: InChI=1S/C17H38N4/c1-2-18-10-5-11-19-12-6-13-20-14-7-15-21-16-17-8-3-4-9-17/h17-21H,2-16H2,1H3
Standard InChI Key: KIDZYBLKCPZYQA-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 298.52 | Molecular Weight (Monoisotopic): 298.3096 | AlogP: 1.73 | #Rotatable Bonds: 15 |
| Polar Surface Area: 48.12 | Molecular Species: BASE | HBA: 4 | HBD: 4 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 10.87 | CX LogP: 0.92 | CX LogD: -5.99 |
| Aromatic Rings: ┄ | Heavy Atoms: 21 | QED Weighted: 0.35 | Np Likeness Score: -0.04 |
| 1. Casero RA, Woster PM.. (2001) Terminally alkylated polyamine analogues as chemotherapeutic agents., 44 (1): [PMID:11141084] [10.1021/jm000084m] |
Source(1):
