| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5084961
Max Phase: Preclinical
Molecular Formula: C17H44Cl5N5
Molecular Weight: 313.53
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cl.Cl.Cl.Cl.Cl.NCCCCNCCCCN1CCCNCCCNCCC1
Standard InChI: InChI=1S/C17H39N5.5ClH/c18-8-1-2-9-19-10-3-4-15-22-16-6-13-20-11-5-12-21-14-7-17-22;;;;;/h19-21H,1-18H2;5*1H
Standard InChI Key: CSTKMKJDQDFPNF-UHFFFAOYSA-N
Associated Targets(Human)
L3.6pl 223 Activities
Associated Targets(non-human)
L1210 27553 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: Unknown | 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: 313.53 | Molecular Weight (Monoisotopic): 313.3205 | AlogP: 0.76 | #Rotatable Bonds: 9 |
| Polar Surface Area: 65.35 | Molecular Species: BASE | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 11.01 | CX LogP: -0.54 | CX LogD: -10.08 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.47 | Np Likeness Score: -0.32 |
References
| 1. Dobrovolskaite A, Gardner RA, Delcros JG, Phanstiel O.. (2022) Development of Polyamine Lassos as Polyamine Transport Inhibitors., 13 (2.0): [PMID:35178189] [10.1021/acsmedchemlett.1c00557] |
Source
Source(1):