| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4071476
Max Phase: Preclinical
Molecular Formula: C23H45N5
Molecular Weight: 391.65
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCNc1cc(C)nc(NCCN(C)C)n1
Standard InChI: InChI=1S/C23H45N5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-22-20-21(2)26-23(27-22)25-18-19-28(3)4/h20H,5-19H2,1-4H3,(H2,24,25,26,27)
Standard InChI Key: XMWGFAZZVIVTAF-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: 391.65 | Molecular Weight (Monoisotopic): 391.3675 | AlogP: 5.87 | #Rotatable Bonds: 18 |
| Polar Surface Area: 53.08 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.68 | CX LogP: 6.19 | CX LogD: 4.78 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.31 | Np Likeness Score: -0.98 |
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):