| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA287672
Max Phase: Preclinical
Molecular Formula: C14H25N3
Molecular Weight: 235.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C=CCNCCCNCCCNCC=C=C
Standard InChI: InChI=1S/C14H25N3/c1-3-5-9-15-11-7-13-17-14-8-12-16-10-6-4-2/h5-6,15-17H,1-2,7-14H2
Standard InChI Key: MXBZDDOCCZCAAJ-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: 235.37 | Molecular Weight (Monoisotopic): 235.2048 | AlogP: 1.22 | #Rotatable Bonds: 12 |
| Polar Surface Area: 36.09 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.12 | CX LogP: 1.13 | CX LogD: -2.50 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.35 | Np Likeness Score: 0.15 |
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):