ID: ALA322423
Chembl Id: CHEMBL322423
PubChem CID: 10014682
Max Phase: Preclinical
Molecular Formula: C14H33N3
Molecular Weight: 243.44
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: NCCCCCCCNCCCCCCCN
Standard InChI: InChI=1S/C14H33N3/c15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16/h17H,1-16H2
Standard InChI Key: HRKSHOLKRJTKAZ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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: 243.44 | Molecular Weight (Monoisotopic): 243.2674 | AlogP: 2.39 | #Rotatable Bonds: 14 |
| Polar Surface Area: 64.07 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 10.95 | CX LogP: 2.04 | CX LogD: -6.16 |
| Aromatic Rings: ┄ | Heavy Atoms: 17 | QED Weighted: 0.41 | Np Likeness Score: 0.16 |
| 1. Lee YB, Park MH, Folk JE.. (1995) Diamine and triamine analogs and derivatives as inhibitors of deoxyhypusine synthase: synthesis and biological activity., 38 (16): [PMID:7636868] [10.1021/jm00016a008] |
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