| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2312414
Max Phase: Preclinical
Molecular Formula: C25H36N4O2
Molecular Weight: 424.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CC(O)CN(C)C)c2ccccc12
Standard InChI: InChI=1S/C25H36N4O2/c1-4-5-6-7-8-11-14-27-25(31)20(16-26)15-21-17-29(19-22(30)18-28(2)3)24-13-10-9-12-23(21)24/h9-10,12-13,15,17,22,30H,4-8,11,14,18-19H2,1-3H3,(H,27,31)/b20-15+
Standard InChI Key: HRFWBDGUUMUKRE-HMMYKYKNSA-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: 424.59 | Molecular Weight (Monoisotopic): 424.2838 | AlogP: 3.95 | #Rotatable Bonds: 13 |
| Polar Surface Area: 81.29 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.09 | CX LogP: 4.18 | CX LogD: 2.48 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.29 | Np Likeness Score: -1.13 |
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):