| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2312423
Max Phase: Preclinical
Molecular Formula: C27H31N3O
Molecular Weight: 413.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12
Standard InChI: InChI=1S/C27H31N3O/c1-2-3-4-5-6-12-17-29-27(31)23(19-28)18-24-21-30(20-22-13-8-7-9-14-22)26-16-11-10-15-25(24)26/h7-11,13-16,18,21H,2-6,12,17,20H2,1H3,(H,29,31)/b23-18+
Standard InChI Key: RGYHMUNUESFCCV-PTGBLXJZSA-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: 413.57 | Molecular Weight (Monoisotopic): 413.2467 | AlogP: 6.07 | #Rotatable Bonds: 11 |
| Polar Surface Area: 57.82 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.51 | CX LogD: 6.51 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.24 | Np Likeness Score: -1.07 |
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):