| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2312415
Max Phase: Preclinical
Molecular Formula: C28H40N4O2
Molecular Weight: 464.65
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CC(O)CN2CCCC2)c2ccccc12
Standard InChI: InChI=1S/C28H40N4O2/c1-3-4-5-6-7-10-15-30-28(34)23(19-29)18-26-22(2)32(27-14-9-8-13-25(26)27)21-24(33)20-31-16-11-12-17-31/h8-9,13-14,18,24,33H,3-7,10-12,15-17,20-21H2,1-2H3,(H,30,34)/b23-18+
Standard InChI Key: DQHIJWOMMVYHCW-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: 464.65 | Molecular Weight (Monoisotopic): 464.3151 | AlogP: 4.79 | #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: 9.54 | CX LogP: 4.78 | CX LogD: 2.65 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.25 | Np Likeness Score: -1.01 |
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):