| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4094056
Max Phase: Preclinical
Molecular Formula: C20H39N5
Molecular Weight: 349.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCNc1ccnc(NCCN(C)C)n1
Standard InChI: InChI=1S/C20H39N5/c1-4-5-6-7-8-9-10-11-12-13-15-21-19-14-16-22-20(24-19)23-17-18-25(2)3/h14,16H,4-13,15,17-18H2,1-3H3,(H2,21,22,23,24)
Standard InChI Key: WTFJNTNHMJJVIH-UHFFFAOYSA-N
Associated Targets(Human)
Dynamin-2 62 Activities
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: 349.57 | Molecular Weight (Monoisotopic): 349.3205 | AlogP: 4.78 | #Rotatable Bonds: 16 |
| Polar Surface Area: 53.08 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.66 | CX LogP: 5.17 | CX LogD: 3.86 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.42 | Np Likeness Score: -0.95 |
References
| 1. Odell LR, Abdel-Hamid MK, Hill TA, Chau N, Young KA, Deane FM, Sakoff JA, Andersson S, Daniel JA, Robinson PJ, McCluskey A.. (2017) Pyrimidine-Based Inhibitors of Dynamin I GTPase Activity: Competitive Inhibition at the Pleckstrin Homology Domain., 60 (1): [PMID:27997171] [10.1021/acs.jmedchem.6b01422] |
Source
Source(1):