| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1202500
Max Phase: Preclinical
Molecular Formula: C22H46Cl4N4
Molecular Weight: 362.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C=CCNCCCNCCCCCCCCNCCCNCC=C=C.Cl.Cl.Cl.Cl
Standard InChI: InChI=1S/C22H42N4.4ClH/c1-3-5-15-23-19-13-21-25-17-11-9-7-8-10-12-18-26-22-14-20-24-16-6-4-2;;;;/h5-6,23-26H,1-2,7-22H2;4*1H
Standard InChI Key: DWNWYIXGTGXXKC-UHFFFAOYSA-N
Associated Targets(non-human)
L1210 27553 Activities
Polyamine oxidase 16 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: 362.61 | Molecular Weight (Monoisotopic): 362.3409 | AlogP: 3.15 | #Rotatable Bonds: 21 |
| Polar Surface Area: 48.12 | Molecular Species: BASE | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.71 | CX LogP: 3.13 | CX LogD: -3.22 |
| Aromatic Rings: 0 | Heavy Atoms: 26 | QED Weighted: 0.19 | Np Likeness Score: 0.12 |
References
| 1. Edwards ML, Prakash NJ, Stemerick DM, Sunkara SP, Bitonti AJ, Davis GF, Dumont JA, Bey P.. (1990) Polyamine analogues with antitumor activity., 33 (5): [PMID:2329556] [10.1021/jm00167a014] |
Source
Source(1):