| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2312432
Max Phase: Preclinical
Molecular Formula: C28H49N3
Molecular Weight: 427.72
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Standard InChI: InChI=1S/C28H49N3/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-29-24-26-25-31(23-18-22-30(2)3)28-20-16-15-19-27(26)28/h15-16,19-20,25,29H,4-14,17-18,21-24H2,1-3H3
Standard InChI Key: FHXHUSJGTRNFBL-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: 427.72 | Molecular Weight (Monoisotopic): 427.3926 | AlogP: 7.38 | #Rotatable Bonds: 19 |
| Polar Surface Area: 20.20 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.03 | CX LogP: 7.70 | CX LogD: 3.13 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.24 | Np Likeness Score: -0.85 |
References
| 1. Gordon CP, Venn-Brown B, Robertson MJ, Young KA, Chau N, Mariana A, Whiting A, Chircop M, Robinson PJ, McCluskey A.. (2013) Development of second-generation indole-based dynamin GTPase inhibitors., 56 (1): [PMID:23167654] [10.1021/jm300844m] |
Source
Source(1):