| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA34420
Max Phase: Preclinical
Molecular Formula: C14H33N3
Molecular Weight: 243.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCNCCCCCNCCCCCNCC
Standard InChI: InChI=1S/C14H33N3/c1-3-15-11-7-5-9-13-17-14-10-6-8-12-16-4-2/h15-17H,3-14H2,1-2H3
Standard InChI Key: IXQGLCRJXHAMRD-UHFFFAOYSA-N
Associated Targets(non-human)
L1210 27553 Activities
S-adenosylmethionine decarboxylase 1 47 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Spermidine/spermine N(1)-acetyltransferase (SAT) 56 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 243.44 | Molecular Weight (Monoisotopic): 243.2674 | AlogP: 2.14 | #Rotatable Bonds: 14 |
| 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: 11.15 | CX LogP: 1.84 | CX LogD: -7.02 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.41 | Np Likeness Score: -0.02 |
References
| 1. Bergeron RJ, Feng Y, Weimar WR, McManis JS, Dimova H, Porter C, Raisler B, Phanstiel O.. (1997) A comparison of structure-activity relationships between spermidine and spermine analogue antineoplastics., 40 (10): [PMID:9154970] [10.1021/jm960849j] |
Source
Source(1):